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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Evidence Supporting This Chemical as an Endocrine Disruptor
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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/.

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