2-hydroxy-3-chlorobiphenyl

Synonyms: "2-chloro-6-phenylphenol", "2-phenyl-6-chlorophenol", "3-chloro-2-biphenylol", "6-chloro-2-phenylphenol"

Source: 2-hydroxy-3-chlorobiphenyl is a hydroxylated metabolite of polychlorinated biphenyls (PCBs), which are a group of industrial chemicals used as dielectrics, coolants and lubricants in electrical equipment.

Identifiers:

IUPAC Name: 2-chloro-6-phenylphenol
CAS Number: 85-97-2
PubChem ID: 61529
InChiKey: XBILVINOJVKEHG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)O

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)
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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.