(3-ethylphenyl)(phenyl)methanone

• ChemBase ID: 168419
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: c1(cccc(c1)CC)C(=O)c1ccccc1
• Canonical SMILES: CCc1cccc(c1)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O/c1-2-12-7-6-10-14(11-12)15(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3
• InChIKey: FVSYHKJWZIKKDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethylphenyl)(phenyl)methanone
• IUPAC Traditional name: (3-ethylphenyl)(phenyl)methanone
• Synonyms: (3-Ethylphenyl)phenylmethanone; m-Ethylbenzophenone; 3-Ethylbenzophenone

Database IDs

• CAS Number: 66067-43-4
• PubChem SID: 162262551
• PubChem CID: 583730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3905888
• LogD (pH = 7.4): 4.3905888
• Log P: 4.3905888
• Molar Refractivity: 66.2757 cm^3
• Polarizability: 25.642664 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E899790

3-Ethylbenzophenone is the photodegradation product of Ibuprofen (I40000) and Ketoprofen (K200800)in aqueous solutions.

REFERENCES

• Alapi, T., et al.: J. Photochem. Photobiol., 188, 409 (2007)
• Musa, K., et al.: Med. Chem., 50, 1735 (2007)