2-phenylcyclopentan-1-one

• ChemBase ID: 273396
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: C1(=O)C(c2ccccc2)CCC1
• Canonical SMILES: O=C1CCCC1c1ccccc1
• InChI: InChI=1S/C11H12O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
• InChIKey: NPELEPAOYMNNRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylcyclopentan-1-one
• IUPAC Traditional name: 2-phenylcyclopentan-1-one
• Synonyms: 2-phenylcyclopentan-1-one

Database IDs

• MDL Number: MFCD12545827
• PubChem SID: 164329306
• PubChem CID: 290154

CALCULATED PROPERTIES

• Acid pKa: 16.566916
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7204158
• LogD (pH = 7.4): 2.7204158
• Log P: 2.7204158
• Molar Refractivity: 48.3159 cm^3
• Polarizability: 18.891577 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C
• Hydrophobicity(logP): 1.934

Product Information

• Purity: 95%