(1-chloro-2-phenylethyl)benzene (CED0174767)

Record Information
Version1.0
Creation Date2026-08-19 04:55:51 UTC
Update Date2026-08-19 04:55:51 UTC
SynCED IDCED0174767
Secondary Accession Numbers
  • CHEM177871
Identification
Common Name(1-chloro-2-phenylethyl)benzene
ClassSmall Molecule
Description
(1-chloro-2-phenylethyl)benzene belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C14H13Cl and an average molecular weight of 216.70 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H13Cl
Average Molecular Mass216.700 g/mol
Monoisotopic Mass216.071 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C14H13Cl/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChI KeyUVROAJFELBNMRA-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
2670.0 Log mg/kg [1500:4700]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
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
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
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.444
Statistical Significance
9.80e-04
Supporting Reference Compounds
63
E-value
7.62922
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.369
Applicability Domain
0.444
Statistical Significance
0.0057
Supporting Reference Compounds
203
E-value
44.2962
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.375
Statistical Significance
4.00e-04
Supporting Reference Compounds
2
E-value
3.11397
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.414
Statistical Significance
0.0251
Supporting Reference Compounds
562
E-value
195.402
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.444
Statistical Significance
0.0162
Supporting Reference Compounds
380
E-value
126.271
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.444
Statistical Significance
0.0011
Supporting Reference Compounds
18
E-value
8.95266
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.444
Statistical Significance
0.0168
Supporting Reference Compounds
297
E-value
130.865
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.444
Statistical Significance
0.0179
Supporting Reference Compounds
451
E-value
139.194
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.444
Statistical Significance
0.0206
Supporting Reference Compounds
506
E-value
160.292
Click to view 3D structureTrace amine-associated receptor 1Q923Y9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.444
Statistical Significance
9.70e-04
Supporting Reference Compounds
18
E-value
7.55137
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.351
Statistical Significance
0.0073
Supporting Reference Compounds
51
E-value
56.8299
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.444
Statistical Significance
0.0344
Supporting Reference Compounds
593
E-value
267.568
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P15085HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.375
Statistical Significance
0.0026
Supporting Reference Compounds
13
E-value
20.1629
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P00730Bos taurusPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.375
Statistical Significance
7.30e-04
Supporting Reference Compounds
9
E-value
5.68299
Neprilysin structureClick to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.351
Statistical Significance
0.0112
Supporting Reference Compounds
34
E-value
87.5804
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.317
Statistical Significance
0.0093
Supporting Reference Compounds
38
E-value
72.3998
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.407
Statistical Significance
0.0307
Supporting Reference Compounds
229
E-value
239.309
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.412
Statistical Significance
0.1422
Supporting Reference Compounds
1498
E-value
1106.78
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.385
Statistical Significance
0.0705
Supporting Reference Compounds
955
E-value
548.526
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.385
Statistical Significance
0.0444
Supporting Reference Compounds
507
E-value
345.339
Click to view 3D structureTrace amine-associated receptor 1Q8HZ64Macaca mulattaPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.444
Statistical Significance
3.00e-04
Supporting Reference Compounds
8
E-value
2.33548
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.326
Statistical Significance
0.0253
Supporting Reference Compounds
201
E-value
196.803
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.444
Statistical Significance
0.0016
Supporting Reference Compounds
68
E-value
12.6894
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.444
Statistical Significance
0.0258
Supporting Reference Compounds
185
E-value
201.085
Click to view 3D structureSynaptic vesicular amine transporterQ01827Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.414
Statistical Significance
0.0016
Supporting Reference Compounds
18
E-value
12.7673
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available