2-phenylcyclobutan-1-ol

• ChemBase ID: 276696
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C1(CCC1O)c1ccccc1
• Canonical SMILES: OC1CCC1c1ccccc1
• InChI: InChI=1S/C10H12O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
• InChIKey: FZJJHQLLQDVIPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382278
• PubChem SID: 164332606
• PubChem CID: 15765220

CALCULATED PROPERTIES

• Acid pKa: 15.048436
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8903329
• LogD (pH = 7.4): 1.8903329
• Log P: 1.8903329
• Molar Refractivity: 44.6401 cm^3
• Polarizability: 17.51696 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.707

Product Information

• Purity: 95%