4-chloro-2-phenylphenol

Synonyms: "monochloro-2-phenylphenol", "4-chloro-2-phenylphenol", "o-phenyl-p-chlorophenol", "5-chloro-2-biphenylol", "p-chloro-o-phenylphenol", "4-chloro-o-phenylphenol", "2-hydroxy-5-chlorobiphenyl", "5-chloro[1,1'-biphenyl]-2-ol", "5-chloro-(1,1'-biphenyl)-2-ol", "5-chloro-2-hydroxybiphenyl".

Source: 4-chloro-2-phenylphenol belongs to the group of hydroxychlorobiphenyls, which are metabolites of chlorinated biphenyls.

Identifiers:

IUPAC Name: 4-chloro-2-phenylphenol
CAS Number: 607-12-5
PubChem ID: 11827
InChiKey: DSQWWSVOIGUHAE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)O

Structural Properties:

Molecular Formula: C12H9ClO
Molecular Weight: 204.653

Pharmacophore Features:

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

Downloads

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

Toxicological Information

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. DOI: 10.1016/S0048-9697(99)00221-1. URL: https://www.sciencedirect.com/science/article/pii/S0048969799002211.

External Links

2D-structure

3D-structure