2,6-dichloro-4'-biphenylol

Synonyms: "2,6-dichloro-4'-biphenylol", "4-(2,6-dichlorophenyl)phenol", "2',6'-dichloro-(1,1'-biphenyl)-4-ol", "2',6'-dichlorobiphenyl-4-ol", "2',6'-dichloro-1,1'-biphenyl-4-ol".

Source: 2,6-dichloro-4'-biphenylol belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 4-(2,6-dichlorophenyl)phenol
CAS Number: 79881-33-7
PubChem ID: 157586
InChiKey: WJZSSXLAIVPJLA-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Cl)C2=CC=C(C=C2)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)
3D structure (.pdb)
3D structure (.pdbqt)

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

Korach KS, Sarver P, Chae K, McLachlan JA, McKinney JD. 1988. Estrogen receptor-binding activity of polychlorinated hydroxybiphenyls: conformationally restricted structural probes. Mol Pharmacol 33(1):120-126. URL: http://molpharm.aspetjournals.org/content/33/1/120.long.