2',5'-dichloro-2-biphenylol

Synonyms: "2',5'-dichloro-2-biphenylol", "53905-30-9", "2-(2,5-dichlorophenyl)phenol", "2',5'-Dichloro-2-hydroxybiphenyl", "2-hydroxy-2',5'-dichlorobiphenyl", "2'-hydroxy-2,5-dichlorobiphenyl", "K-9741".

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

Identifiers:

IUPAC Name: 2-(2,5-dichlorophenyl)phenol
CAS Number: 53905-30-9
PubChem ID: 92347
InChiKey: LKDWVOYFEVHMEJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)O

Structural Properties:

Molecular Formula: C₁₂H₈Cl₂O
Molecular Weight: 239.095

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 15

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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.
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/.