Synonyms: "4-hydroxy-2',3',4'-5'-tetrachlorobiphenyl", "2,3,4,5-tetrachloro-4'-biphenylol", "2',3',4',5'-tetrachloro-4-biphenylol", "OH-PCB-61"

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


IUPAC Name: 4-(2,3,4,5-tetrachlorophenyl)phenol
CAS Number: 67651-34-7
PubChem ID: 105101
Canonical SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)O

Structural Properties:

Molecular Formula: C12H6Cl4O
Molecular Weight: 307,987

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

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.
Jin L, Tran DQ, Ide CF, McLachlan JA, Arnold SF. 1997. Several synthetic chemicals inhibit progesterone receptor-mediated transactivation in yeast. Biochemical & Biophysical Research Communications 233(1):139-146.
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.
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.

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