[1,1'-biphenyl]-4-ol, 3,5-dichloro-

Synonyms: "3,5-dichlorobiphenyl-4-ol", "3,5-dichloro-4-hydroxybiphenyl", "2,6-dichloro-4-phenylphenol", "3,5-dichloro-(1,1'-biphenyl)-4-ol", "3,5-dichloro-4-biphenylol", "2,6-dichloro-p-phenylphenol".

Source: 4-Hydroxy-3,5-dichlorobiphenyl belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 2,6-dichloro-4-phenylphenol
CAS Number: 1137-59-3
PubChem ID: 70820
InChiKey: HHFXDKAXCKUSIV-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)Cl)O)Cl

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)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Cheek AO, Kow K, Chen J, McLachlan JA. 1999. Potential mechanisms of thyroid disruption in humans: Interaction of organochlorine compounds with thyroid receptor, transthyretin, and thyroid-binding globulin. Environ Health Perspect 107(4):273-278. DOI: 10.1289/ehp.99107273. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1566512/.
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%3Dihub.
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.