1-benzylcyclopropan-1-ol

• ChemBase ID: 276686
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: C1(CC1)(Cc1ccccc1)O
• Canonical SMILES: OC1(CC1)Cc1ccccc1
• InChI: InChI=1S/C10H12O/c11-10(6-7-10)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
• InChIKey: ALLNPSWVFBAJIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16840875
• PubChem SID: 164332596
• PubChem CID: 14510823

CALCULATED PROPERTIES

• Acid pKa: 15.054606
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8838905
• LogD (pH = 7.4): 1.8838905
• Log P: 1.8838905
• Molar Refractivity: 44.7297 cm^3
• Polarizability: 17.51783 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.677

Product Information

• Purity: 95%