1-(2-phenoxyethyl)cyclopropan-1-ol

• ChemBase ID: 234850
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C1(CC1)(CCOc1ccccc1)O
• Canonical SMILES: OC1(CCOc2ccccc2)CC1
• InChI: InChI=1S/C11H14O2/c12-11(6-7-11)8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9H2
• InChIKey: AKVYVGIXRROCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenoxyethyl)cyclopropan-1-ol
• IUPAC Traditional name: 1-(2-phenoxyethyl)cyclopropan-1-ol
• Synonyms: 1-(2-phenoxyethyl)cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840893
• PubChem SID: 164290760
• PubChem CID: 62669694

CALCULATED PROPERTIES

• Acid pKa: 15.088757
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5747656
• LogD (pH = 7.4): 1.5747656
• Log P: 1.5747656
• Molar Refractivity: 50.7797 cm^3
• Polarizability: 20.101696 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 1.926

Product Information

• Purity: 95%