cyclopropyl(3-methoxyphenyl)methanone

• ChemBase ID: 234889
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: C(=O)(C1CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)C1CC1
• InChI: InChI=1S/C11H12O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8H,5-6H2,1H3
• InChIKey: DRJNYGMCZQPJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(3-methoxyphenyl)methanone
• IUPAC Traditional name: cyclopropyl(3-methoxyphenyl)methanone
• Synonyms: cyclopropyl(3-methoxyphenyl)methanone

Database IDs

• MDL Number: MFCD03841209
• PubChem SID: 164290799
• PubChem CID: 12634433

CALCULATED PROPERTIES

• Acid pKa: 17.7154
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1530182
• LogD (pH = 7.4): 2.1530182
• Log P: 2.1530182
• Molar Refractivity: 50.3232 cm^3
• Polarizability: 19.531862 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.385

Product Information

• Purity: 95%