2-(3-methoxyphenyl)-1-phenylethan-1-one

• ChemBase ID: 240198
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: C(=O)(Cc1cc(OC)ccc1)c1ccccc1
• Canonical SMILES: COc1cccc(c1)CC(=O)c1ccccc1
• InChI: InChI=1S/C15H14O2/c1-17-14-9-5-6-12(10-14)11-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
• InChIKey: PCPRLBDYPYGZOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-1-phenylethan-1-one
• IUPAC Traditional name: 2-(3-methoxyphenyl)-1-phenylethanone
• Synonyms: 2-(3-methoxyphenyl)-1-phenylethan-1-one

Database IDs

• MDL Number: MFCD00446972
• PubChem SID: 164296108
• PubChem CID: 2759614

CALCULATED PROPERTIES

• Acid pKa: 15.56888
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.207562
• LogD (pH = 7.4): 3.207562
• Log P: 3.207562
• Molar Refractivity: 67.6459 cm^3
• Polarizability: 26.189066 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.268

Product Information

• Purity: 95%