(3-methoxyphenyl)(4-methylphenyl)methanone

• ChemBase ID: 173009
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: c1(cccc(c1)C(=O)c1ccc(cc1)C)OC
• Canonical SMILES: COc1cccc(c1)C(=O)c1ccc(cc1)C
• InChI: InChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)17-2/h3-10H,1-2H3
• InChIKey: KZQIJMIURWFUIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxyphenyl)(4-methylphenyl)methanone
• IUPAC Traditional name: (3-methoxyphenyl)(4-methylphenyl)methanone
• Synonyms: (3-Methoxyphenyl)(4-methylphenyl)methanone; 3-Methoxy-4'-methylbenzophenone

Database IDs

• CAS Number: 82520-37-4
• PubChem SID: 164228919
• PubChem CID: 54881

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.788349
• LogD (pH = 7.4): 3.788349
• Log P: 3.788349
• Molar Refractivity: 68.1379 cm^3
• Polarizability: 26.276762 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Viscus Yellow Oil
• Boiling Point: 145-150°C at 0.6 mm Hg