benzyl-4-hydroxyphenyl ketone

Synonyms: "1-(4-hydroxyphenyl)-2-phenylethanone", "1-(4-hydroxyphenyl)-2-phenylethan-1-one"

Source: benzyl-4-hydroxyphenyl ketone is used in research for developing a new chemotherapeutic agent for the treatment of breast cancer.

Identifiers:

IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone
CAS Number: 2491-32-9
PubChem ID: 75607
InChiKey: JBQTZLNCDIFCCO-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C14H12O2
Molecular Weight: 212,2439

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.

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