(3,4-dimethoxyphenyl)(phenyl)methanone

• ChemBase ID: 88242
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: O=C(c1ccccc1)c1ccc(c(c1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
• InChIKey: WCNOATOQNSHEFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (3,4-dimethoxyphenyl)(phenyl)methanone
• Synonyms: (3,4-Dimethoxyphenyl)(phenyl)methanone; (3,4-Dimethoxy-phenyl)-phenyl-methanone; (3,4-Dimethoxyphenyl)(phenyl)methanone; 4-Benzoylcatechol dimethyl ether; 3,4-Dimethoxybenzophenone

Database IDs

• CAS Number: 4038-14-6
• MDL Number: MFCD00075875
• PubChem SID: 162075230
• PubChem CID: 286742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1172564
• LogD (pH = 7.4): 3.1172564
• Log P: 3.1172564
• Molar Refractivity: 69.5599 cm^3
• Polarizability: 27.012875 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 97%