3,4',5-trichloro-4-biphenylol

Synonyms: "4,3',5'-trichloro-4'-biphenol", "2,6,4'-trichloro-p-phenylphenol", "2,6-dichloro-4-(4-chlorophenyl)phenol", "3,4',5-trichloro-4-hydroxybiphenyl", "3,4',5-trichloro[1,1'-biphenyl]-4-ol"

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

Identifiers:

IUPAC Name: 2,6-dichloro-4-(4-chlorophenyl)phenol
CAS Number: 4400-06-0
PubChem ID: 78111
InChiKey: OICMUGIRBDYVOV-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)O)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₇Cl₃O
Molecular Weight: 273.537

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

Downloads

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

Search Similar molecules

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

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.