3-hydroxybenzophenone

Synonyms: "3-hydroxybenzophenone", "(3-hydroxyphenyl)(phenyl)methanone", "m-hydroxybenzophenone", "3-hydroxy-benzophenone", "3-hydroxybenzophenone".

Source: 3-Hydroxybenzophenone is a benzophenone metabolite .

Identifiers:

IUPAC Name: (3-hydroxyphenyl)-phenylmethanone
CAS Number: 13020-57-0
PubChem ID: 83050
InChiKey: SHULEACXTONYPS-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O

Structural Properties:

Molecular Formula: C₁₃H₁₀O₂
Molecular Weight: 198.221

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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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

Schultz TW, Seward JR, Sinks GD. 2000. Estrogenicity of benzophenones evaluated with a recombinant yeast assay: comparison of experimental and rules-based predicted activity. Environ Toxicol Chem 19(2):301-304. DOI: 10.1002/etc.5620190208. URL: http://onlinelibrary.wiley.com/doi/10.1002/etc.5620190208/abstract.