[1,1'-Biphenyl]-3,4'-diol (CED0040065)

Record Information

Version

1.0

Creation Date

2026-04-03 16:34:38 UTC

Update Date

2026-04-03 16:34:38 UTC

Accession Number

CHEM066138

Identification

Common Name

[1,1'-Biphenyl]-3,4'-diol

Class

Small Molecule

Description

[1,1'-Biphenyl]-3,4'-diol belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H10O2 and an average molecular weight of 186.21 g/mol. It has been identified in or released from three recorded sources, specifically electrical and electronic equipment including radio transmission systems, electric hearing aids, and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₀O₂

Average Molecular Mass

186.210 g/mol

Monoisotopic Mass

186.068 g/mol

CAS Registry Number

18855-13-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C12H10O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,13-14H

InChI Key

BWBGEYQWIHXDKY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Biphenyls and derivatives

Alternative Parents

Substituents

Biphenyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2692.0	Log mg/kg	[1500:4800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7.78492
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	3.97031
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	10.1982
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	3.81461
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	6.69503
Click to view 3D structure	E3 ubiquitin-protein ligase pellino homolog 1	Q96FA3	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	40.9487
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	29.6606
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	74.6574
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	1.63483
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	5.29375
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	92.0956
Click to view 3D structure	Methyl-branched lipid omega-hydroxylase	P9WPP3	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	0.622794
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	7.16213
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	93.2634
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	0.467095
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	98.635
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	45.4639
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	54.5723
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	75.1245
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	149.237
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	366.281