[1-(3-methoxyphenyl)cyclopropyl]methanol

• ChemBase ID: 806843
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C(O)C1(CC1)c1cc(ccc1)OC
• Canonical SMILES: OCC1(CC1)c1cccc(c1)OC
• InChI: InChI=1S/C11H14O2/c1-13-10-4-2-3-9(7-10)11(8-12)5-6-11/h2-4,7,12H,5-6,8H2,1H3
• InChIKey: OKKLNEHPHWXNMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methoxyphenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(3-methoxyphenyl)cyclopropyl]methanol
• Synonyms: [1-(3-METHOXY-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 886366-39-8

CALCULATED PROPERTIES

• Acid pKa: 14.999047
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6161338
• LogD (pH = 7.4): 1.6161338
• Log P: 1.6161338
• Molar Refractivity: 51.1596 cm^3
• Polarizability: 20.019653 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%