(4-methoxyphenyl)(4-methylphenyl)methanone

• ChemBase ID: 263063
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: C(=O)(c1ccc(cc1)OC)c1ccc(cc1)C
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccc(cc1)C
• InChI: InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10H,1-2H3
• InChIKey: IHMWJDNMIIEDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(4-methylphenyl)methanone
• IUPAC Traditional name: (4-methoxyphenyl)(4-methylphenyl)methanone
• Synonyms: (4-methoxyphenyl)(4-methylphenyl)methanone

Database IDs

• MDL Number: MFCD00025812
• PubChem SID: 164318973
• PubChem CID: 32113

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: 26.276215 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 3.899

Product Information

• Purity: 95%