(2,5-dimethoxyphenyl)(phenyl)methanone

• ChemBase ID: 263535
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(C(=O)c2ccccc2)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)c1ccccc1)OC
• InChI: InChI=1S/C15H14O3/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11/h3-10H,1-2H3
• InChIKey: PKEAHRFPMAHKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-dimethoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (2,5-dimethoxyphenyl)(phenyl)methanone
• Synonyms: (2,5-dimethoxyphenyl)phenylmethanone

Database IDs

• MDL Number: MFCD00769055
• PubChem SID: 164319445
• PubChem CID: 257906

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: 27.012632 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.428

Product Information

• Purity: 95%