1-phenylcyclopropan-1-ol

• ChemBase ID: 278602
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: C1(CC1)(c1ccccc1)O
• Canonical SMILES: OC1(CC1)c1ccccc1
• InChI: InChI=1S/C9H10O/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
• InChIKey: NZSQYBUQMZYZPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16840724
• PubChem SID: 164334512
• PubChem CID: 12236048

CALCULATED PROPERTIES

• Acid pKa: 14.373781
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5952293
• LogD (pH = 7.4): 1.5952293
• Log P: 1.5952293
• Molar Refractivity: 39.9747 cm^3
• Polarizability: 15.746929 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.448

Product Information

• Purity: 95%