2-hydroxy-2',3',4',5,5'-pentachlorobiphenyl

Synonyms: "2-hydroxy-2',3',4',5,5'-pentachlorobiphenyl", "2',3',4',5,5'-pentachloro-2-biphenylol", "4-chloro-2-(2,3,4,5-tetrachlorophenyl)phenol", "2',3',4',5,5'-pentachlorobiphenyl-2-ol", "2',3',4',5,5'-pentachloro-(1,1'-biphenyl)-2-ol", "2',3',4',5,5'-pentachloro-2-hydroxybiphenyl".

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

Identifiers:

IUPAC Name: 4-chloro-2-(2,3,4,5-tetrachlorophenyl)phenol
CAS Number: 67651-36-9
PubChem ID: 119518
InChiKey: YIRXIYMPZUSPOV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)O

Structural Properties:

Molecular Formula: C₁₂H₅Cl₅O
Molecular Weight: 342.421

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 18

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