1-phenylcyclobutan-1-ol

• ChemBase ID: 241192
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C1(c2ccccc2)(O)CCC1
• Canonical SMILES: OC1(CCC1)c1ccccc1
• InChI: InChI=1S/C10H12O/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
• InChIKey: LHXASHUXCRQHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclobutan-1-ol
• IUPAC Traditional name: 1-phenylcyclobutan-1-ol
• Synonyms: 1-phenylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD11111751
• PubChem SID: 164297102
• PubChem CID: 136746

CALCULATED PROPERTIES

• Acid pKa: 14.215706
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.039798
• LogD (pH = 7.4): 2.0397978
• Log P: 2.039798
• Molar Refractivity: 44.5757 cm^3
• Polarizability: 17.592785 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%