2,5-dichloro-4'-biphenylol

Synonyms: "2,5-dichloro-4'-biphenylol", "4-(2,5-dichlorophenyl)phenol", "4-hydroxy-2',5'-dichlorobiphenyl", "2',5'-dichloro-(1,1'-biphenyl)-4-ol", "2',5'-dichlorobiphenyl-4-ol", "2',5'-dichloro-4-biphenylol", "2,5-dichloro-4' -hydroxybiphenyl".

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

Identifiers:

IUPAC Name: 4-(2,5-dichlorophenyl)phenol
CAS Number: 53905-28-5
PubChem ID: 91653
InChiKey: BTORSXCJJIWNIS-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=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)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Gierthy JF, Arcaro KF, Floyd M. 1997. Assessment of PCB estrogenicity in a human breast cancer cell line. Chemosphere 34(5-7):1495-1505. DOI: 10.1016/S0045-6535(97)00446-3. URL: http://www.sciencedirect.com/science/article/pii/S0045653597004463?via%3.
DihubSoto 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/.