(1,1'-Biphenyl)-4,4'-diol, 2-chloro- (CED0139768)

Record Information

Version

1.0

Creation Date

2026-03-26 23:20:25 UTC

Update Date

2026-03-26 23:20:25 UTC

SynCED ID

CED0139768

Secondary Accession Numbers

CHEM056709

Identification

Common Name

(1,1'-Biphenyl)-4,4'-diol, 2-chloro-

Class

Small Molecule

Description

(1,1'-Biphenyl)-4,4'-diol, 2-chloro- belongs to the biphenols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H9Cl1O2 and an average molecular weight of 220.65 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Not Available

Chemical Formula

C₁₂H₉Cl₁O₂

Average Molecular Mass

220.650 g/mol

Monoisotopic Mass

220.029 g/mol

CAS Registry Number

56858-70-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC1=CC=C(C=C1)C1=C(Cl)C=C(O)C=C1

InChI Identifier

InChI=1S/C12H9ClO2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,14-15H

InChI Key

SDDOUBZCBHJDLO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenols

Direct Parent

Biphenols

Alternative Parents

Substituents

Biphenol
Chlorinated biphenyl
Biphenyl
3-halophenol
3-chlorophenol
Halobenzene
Chlorobenzene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aryl chloride
Aryl halide
Organochloride
Organohalogen compound
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

hydroxybiphenyls (CHEBI:34267 )
monochlorobenzenes (CHEBI:34267 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2749.0 Log mg/kg [1500:4900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.361 Applicability Domain 0.393 Statistical Significance 0.0032 Supporting Reference Compounds 174 E-value 25.1453
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.361 Applicability Domain 0.393 Statistical Significance 0.0049 Supporting Reference Compounds 201 E-value 37.8347
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.381 Statistical Significance 0.0208 Supporting Reference Compounds 472 E-value 162.316
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.381 Statistical Significance 0.0157 Supporting Reference Compounds 332 E-value 122.068
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.357 Statistical Significance 0.0018 Supporting Reference Compounds 42 E-value 13.935
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.393 Statistical Significance 0.0219 Supporting Reference Compounds 315 E-value 170.412
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.378 Statistical Significance 0.0096 Supporting Reference Compounds 193 E-value 74.5796
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.357 Statistical Significance 0.1086 Supporting Reference Compounds 1538 E-value 845.598
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.378 Statistical Significance 0.0145 Supporting Reference Compounds 242 E-value 112.959
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.378 Statistical Significance 0.0449 Supporting Reference Compounds 553 E-value 349.465
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.357 Statistical Significance 0.0023 Supporting Reference Compounds 44 E-value 17.9053
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.381 Statistical Significance 0.004 Supporting Reference Compounds 64 E-value 31.1397
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.378 Statistical Significance 0.0345 Supporting Reference Compounds 407 E-value 268.813
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.357 Statistical Significance 0.0638 Supporting Reference Compounds 793 E-value 496.834
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.325 Statistical Significance 0.0203 Supporting Reference Compounds 241 E-value 157.878
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.357 Statistical Significance 0.1309 Supporting Reference Compounds 1245 E-value 1019.28
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.381 Statistical Significance 0.0018 Supporting Reference Compounds 39 E-value 14.0129
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.357 Statistical Significance 0.0758 Supporting Reference Compounds 825 E-value 589.941
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.35 Statistical Significance 0.0092 Supporting Reference Compounds 127 E-value 71.8548
Click to view 3D structure	Sulfotransferase 1A1	P17988	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.378 Statistical Significance 5.30e-04 Supporting Reference Compounds 4 E-value 4.12601
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.333 Statistical Significance 0.1359 Supporting Reference Compounds 906 E-value 1057.66
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.325 Statistical Significance 0.005 Supporting Reference Compounds 55 E-value 38.7689
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.357 Statistical Significance 0.015 Supporting Reference Compounds 109 E-value 116.462
Click to view 3D structure	Alcohol dehydrogenase class-3	P28474	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 2.80e-04 Supporting Reference Compounds 1 E-value 2.17978
Click to view 3D structure	Alcohol dehydrogenase class-3	P12711	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 2.80e-04 Supporting Reference Compounds 1 E-value 2.17978