(2,4-dimethoxyphenyl)(phenyl)methanone

• ChemBase ID: 263516
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(C(=O)c2ccccc2)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O3/c1-17-12-8-9-13(14(10-12)18-2)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
• InChIKey: WWVXYKPKRAMYDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (2,4-dimethoxyphenyl)(phenyl)methanone
• Synonyms: (2,4-dimethoxyphenyl)phenylmethanone

Database IDs

• MDL Number: MFCD01098030
• PubChem SID: 164319426
• PubChem CID: 520748

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: 27.013012 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 3.428

Product Information

• Purity: 95%