3-phenylphenol

Synonyms: "3-hydroxybiphenyl", "biphenyl-3-ol", "[1,1'-Biphenyl]-3-ol", "m-phenylphenol", "3-biphenylol", "m-hydroxydiphenyl", "3-hydroxydiphenyl"

Source: 3-phenylphenol is useful as an intermediate for agricultural chemicals and drugs.

Identifiers:

IUPAC Name: 3-phenylphenol
CAS Number: 580-51-8
PubChem ID: 11381
InChiKey: UBXYXCRCOKCZIT-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)O

Structural Properties:

Molecular Formula: C₁₂H₁₀O
Molecular Weight: 170.207

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13

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2D structure (.sdf)
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

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

Petit F, Le Goff P, Cravedi JP, Valotaire Y, Pakdel F. 1997. Two complementary bioassays for screening the estrogenic potency of xenobiotics: recombinant yeast for trout estrogen receptor and trout hepatocyte cultures. J Mol Endocrinol 19(3):321-335.