2',3,4',5,6'-pentachlorobiphenyl-4-ol

Synonyms: "2',3,4',5,6'-pentachlorobiphenyl-4-ol", "4-hydroxy-2',3,4',5,6'-pentachlorobiphenyl".

Source: 2',3,4',5,6'-pentachlorobiphenyl-4-ol belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 2,6-dichloro-4-(2,4,6-trichlorophenyl)phenol
CAS Number: N/A
PubChem ID: 85729803
InChiKey: ICYOMQZPVXMEEP-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C2=C(C=C(C=C2Cl)Cl)Cl

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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2D structure (.sdf)
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

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/.