(4-ethoxyphenyl)(phenyl)methanone

• ChemBase ID: 797096
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: C(=O)(c1ccccc1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O2/c1-2-17-14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
• InChIKey: IBRIFDGHXDFGBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (4-ethoxyphenyl)(phenyl)methanone
• Synonyms: (4-Ethoxyphenyl)(phenyl)Methanone

Database IDs

• CAS Number: 27982-06-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6317356
• LogD (pH = 7.4): 3.6317356
• Log P: 3.6317356
• Molar Refractivity: 67.8453 cm^3
• Polarizability: 26.355688 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%