3-phenylcyclobutan-1-ol

• ChemBase ID: 239070
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C1(CC(C1)O)c1ccccc1
• Canonical SMILES: OC1CC(C1)c1ccccc1
• InChI: InChI=1S/C10H12O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
• InChIKey: BLLLZEOPEKUXEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylcyclobutan-1-ol
• IUPAC Traditional name: 3-phenylcyclobutan-1-ol
• Synonyms: 3-phenylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD12152559
• PubChem SID: 164294980
• PubChem CID: 21876130

CALCULATED PROPERTIES

• Acid pKa: 15.500827
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8123792
• LogD (pH = 7.4): 1.8123792
• Log P: 1.8123792
• Molar Refractivity: 44.7171 cm^3
• Polarizability: 17.518436 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.557

Product Information

• Purity: 95%