4'-hydroxy-3,4,5,3',5'-pentachlorobiphenyl

Synonyms: "4'-hydroxy-3,4,5,3',5'-pentachlorobiphenyl", "3,3',4',5,5'-pentachloro-[1,1'-biphenyl]-4-ol", "HPCB", "3,3',4',5,5'-Pentachlorobiphenyl-4-ol", "2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol".

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

Identifiers:

IUPAC Name: 2,6-dichloro-4-(3,4,5-trichlorophenyl)phenol
CAS Number: 130689-92-8
PubChem ID: 125430
InChiKey: FZCCRONMPSHDPF-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2)Cl)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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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Kester MH, Bulduk S, Tibboel D, Meinl W, Glatt H, Falany CN, Coughtrie MW, Bergman A, Safe SH, Kuiper GG, Schuur AG, Brouwer A, Visser TJ. 2000 . Potent inhibition of estrogen sulfotransferase by hydroxylated PCB metabolites: a novel pathway explaining the estrogenic activity of PCBs. Endocrinology 141(5):1897?1900. DOI: 10.1210/endo.141.5.7530. URL: https://academic.oup.com/endo/article/141/5/1897/2988537.
Schuur AG, Brouwer A, Bergman A, Coughtrie MWH, Visser TJ. 1998. Inhibition of thyroid hormone sulfation by hydroxylated metabolites of polychlorinated biphenyls. Chem Biol Interact 109(1-3):293-297. DOI: 10.1016/S0009-2797(97)00140-3. URL: https://www.sciencedirect.com/science/article/pii/S0009279797001403?via%3Dihub

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