4-chloro-4'-hydroxybiphenyl

Synonyms: "4-chloro-4'-biphenylol", "4-(4-Chlorophenyl)phenol", "4'-chlorobiphenyl-4-ol", "4'-Chloro-[1,1'-biphenyl]-4-ol", "4-Chloro-4-hydroxybiphenyl", "4'-Chloro-4-biphenylol", "4-(p-Chlorophenyl)phenol", "4-(4-chlorophenyl)-phenol", "4'-chloro-4-hydroxybiphenyl".

Source: 4-chloro-4'-hydroxybiphenyl belongs to the hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs).

Identifiers:

IUPAC Name: 4-(4-chlorophenyl)phenol
CAS Number: 28034-99-3
PubChem ID: 91589
InChiKey: ICVFJPSNAUMFCW-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)O

Structural Properties:

Molecular Formula: C₁₂H₉ClO
Molecular Weight: 204.653

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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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

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.