1-[chloro(diphenyl)methyl]-4-methoxybenzene (CED0099236)

Record Information
Version1.0
Creation Date2026-08-20 04:58:04 UTC
Update Date2026-08-20 04:58:04 UTC
SynCED IDCED0099236
Secondary Accession Numbers
  • CHEM200496
Identification
Common Name1-[chloro(diphenyl)methyl]-4-methoxybenzene
ClassSmall Molecule
Description
1-[chloro(diphenyl)methyl]-4-methoxybenzene belongs to the triphenyl compounds, a class of benzenoids within the organic compounds. This compound has the chemical formula C20H17ClO and an average molecular weight of 308.80 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (X Ray Tubes).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H17ClO
Average Molecular Mass308.800 g/mol
Monoisotopic Mass308.097 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3
InChI KeyOBOHMJWDFPBPKD-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2462.0 Log mg/kg [1400:4400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000540X Ray Tubes?X-ray tubes are devices used to produce X-rays for various applications, including medical imaging and industrial inspections.Electrical & Electronic EquipmentPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.355
Statistical Significance
0.0247
Supporting Reference Compounds
472
E-value
192.521
E3 ubiquitin-protein ligase RNF4 structureClick to view 3D structureE3 ubiquitin-protein ligase RNF4P78317HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
8.10e-04
Supporting Reference Compounds
1
E-value
6.30579
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.325
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
11.0546
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.353
Statistical Significance
0.0014
Supporting Reference Compounds
56
E-value
10.7432
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.353
Statistical Significance
0.006
Supporting Reference Compounds
104
E-value
47.0209
Luciferin 4-monooxygenase structureClick to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.357
Statistical Significance
0.0064
Supporting Reference Compounds
114
E-value
49.5121
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.341
Statistical Significance
0.01
Supporting Reference Compounds
118
E-value
77.7714
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.359
Statistical Significance
0.0315
Supporting Reference Compounds
315
E-value
245.069
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.378
Statistical Significance
0.0022
Supporting Reference Compounds
19
E-value
16.8154
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.343
Statistical Significance
0.0386
Supporting Reference Compounds
407
E-value
300.654
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.359
Statistical Significance
0.008
Supporting Reference Compounds
88
E-value
62.2015
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.357
Statistical Significance
0.0089
Supporting Reference Compounds
226
E-value
69.1301
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.357
Statistical Significance
0.0089
Supporting Reference Compounds
227
E-value
69.1301
Click to view 3D structureAryl hydrocarbon receptorO02747Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.333
Statistical Significance
0.001
Supporting Reference Compounds
7
E-value
7.86277
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.333
Statistical Significance
0.0452
Supporting Reference Compounds
229
E-value
351.956
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.35
Statistical Significance
0.0091
Supporting Reference Compounds
57
E-value
70.9206
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.327
Statistical Significance
0.0306
Supporting Reference Compounds
207
E-value
238.296
Click to view 3D structureSentrin-specific protease 6Q9GZR1HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.318
Statistical Significance
0.0058
Supporting Reference Compounds
93
E-value
44.9968
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.341
Statistical Significance
0.0185
Supporting Reference Compounds
125
E-value
144.099
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.341
Statistical Significance
0.01
Supporting Reference Compounds
94
E-value
78.0049
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.333
Statistical Significance
0.0869
Supporting Reference Compounds
562
E-value
676.432
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.313
Statistical Significance
0.0591
Supporting Reference Compounds
292
E-value
459.933
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.324
Statistical Significance
0.1245
Supporting Reference Compounds
793
E-value
969.456
Transcription factor p65 structureClick to view 3D structureTranscription factor p65Q04206HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.378
Statistical Significance
0.0019
Supporting Reference Compounds
27
E-value
14.8692
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.313
Statistical Significance
0.0477
Supporting Reference Compounds
258
E-value
371.107
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available