2-phenylcyclobutan-1-one

• ChemBase ID: 276692
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: C1(C(=O)CC1)c1ccccc1
• Canonical SMILES: O=C1CCC1c1ccccc1
• InChI: InChI=1S/C10H10O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
• InChIKey: BJFZFQHWYGJPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382274
• PubChem SID: 164332602
• PubChem CID: 11469141

CALCULATED PROPERTIES

• Acid pKa: 15.819241
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2758472
• LogD (pH = 7.4): 2.2758472
• Log P: 2.2758472
• Molar Refractivity: 43.7149 cm^3
• Polarizability: 17.045765 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%