[1-(2-methoxyphenyl)cyclopropyl]methanol

• ChemBase ID: 806834
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C(O)C1(CC1)c1c(cccc1)OC
• Canonical SMILES: OCC1(CC1)c1ccccc1OC
• InChI: InChI=1S/C11H14O2/c1-13-10-5-3-2-4-9(10)11(8-12)6-7-11/h2-5,12H,6-8H2,1H3
• InChIKey: BQPMYLBIMQPYJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyphenyl)cyclopropyl]methanol
• IUPAC Traditional name: [1-(2-methoxyphenyl)cyclopropyl]methanol
• Synonyms: [1-(2-METHOXY-PHENYL)-CYCLOPROPYL]-METHANOL

Database IDs

• CAS Number: 98480-36-5

CALCULATED PROPERTIES

• Acid pKa: 14.952351
• 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: 20.020618 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%