[1,1'-Biphenyl]-2,5-diol, 4'-methyl- (CED0150861)

Record Information

Version

1.0

Creation Date

2026-04-03 12:01:39 UTC

Update Date

2026-08-18 23:10:20 UTC

Accession Number

CHEM064157

Identification

Common Name

[1,1'-Biphenyl]-2,5-diol, 4'-methyl-

Class

Small Molecule

Description

[1,1'-Biphenyl]-2,5-diol, 4'-methyl- belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H12O2 and an average molecular weight of 200.24 g/mol. It has been identified in indoor air, specifically within air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₂O₂

Average Molecular Mass

200.237 g/mol

Monoisotopic Mass

200.084 g/mol

CAS Registry Number

10551-32-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC=C(C=C1)C1=C(O)C=CC(O)=C1

InChI Identifier

InChI=1S/C13H12O2/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15/h2-8,14-15H,1H3

InChI Key

BRDIEXWCAJNNQS-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
Hydroquinone
1-hydroxy-2-unsubstituted benzenoid
Toluene
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
2607.0	Log mg/kg	[1500:4600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	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	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	45.6975
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	62.8243
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	12.923
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	13.935
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	804.883
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	317.08
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	176.873
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	394.851
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	494.42
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	89.9937
Click to view 3D structure	Macrophage migration inhibitory factor	P14174	Humans	Predicted (SEA)	7.86277
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	160.214
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	51.6919
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	370.952
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	249.195
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	1078.52
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	14.5578
Click to view 3D structure	Aspartyl aminopeptidase	Q8I2J3	Plasmodium falciparum 3D7	Predicted (SEA)	6.61718
Click to view 3D structure	Dihydropteridine reductase	P11348	Rattus norvegicus	Predicted (SEA)	1.94623
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	363.011
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1194.13
Click to view 3D structure	E3 ubiquitin-protein ligase pellino homolog 1	Q96FA3	Humans	Predicted (SEA)	2.88042
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	74.5017
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	397.342
Click to view 3D structure	Xanthine dehydrogenase/oxidase	P47989	Humans	Predicted (SEA)	22.732