2',3',4',5'-Tetrachloro-3-biphenylol

Synonyms: "3-(2,3,4,5-tetrachlorophenyl)phenol", "3-hydroxy-2',3',4',5'-tetrachlorobiphenyl", "2',3',4',5'-tetrachlorobiphenyl-3-ol", "2',3',4',5'-tetrachloro-3-hydroxybiphenyl", "2',3',4',5'-tetrachloro-[1,1'-biphenyl]-3-ol", "3-(2,3,4,5-tetrachlorophenyl)phenol".

Source: 2',3',4',5'-Tetrachloro-3-biphenylol belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 3-(2,3,4,5-tetrachlorophenyl)phenol
CAS Number: 67651-37-0
PubChem ID: 171852
InChiKey: FNSUIQQZIUKGPW-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC(=C1)O)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₆Cl₄O
Molecular Weight: 307.979

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

Downloads

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

Search Similar molecules

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.
Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122. DOI: 10.2307/3432519 . URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1518887/.