4-hydroxy-3-chlorobiphenyl

Synonyms: "2-chloro-4-phenylphenol", "4-phenyl-2-chlorophenol", "3-chloro-4-hydroxybiphenyl", "3-chloro-4-biphenylol", "3-chlorobiphenyl-4-ol", "o-chloro-p-phenylphenol", "2-chloro-p-phenylphenol", "3-chloro-4-hydroxydiphenyl", "3-chlor-4-hydroxybifenyl"

Source: 4-hydroxy-3-chlorobiphenyl is a monohydroxy metabolite of 4-monochlorobiphenyl, which is found in small amounts in commercial PCB mixtures, indoor and outdoor air and in food.

Identifiers:

IUPAC Name: 4-hydroxy-3-chlorobiphenyl
CAS Number: 92-04-6
PubChem ID: 7074
InChiKey: BZWMYDJJDBFAPE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl

Structural Properties:

Molecular Formula: C₁₂H₉ClO
Molecular Weight: 204.652

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kramer VJ, Giesy JP. 1999. Specific binding of hydroxylated polychlorinated biphenyl metabolites and other substances to bovine calf uterine estrogen receptor: structure-binding relationships. Sci Total Environ 233(1-3):141-161.