[2-(cyclopropylmethoxy)phenyl]methanol

• ChemBase ID: 263381
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C1(CC1)COc1c(CO)cccc1
• Canonical SMILES: OCc1ccccc1OCC1CC1
• InChI: InChI=1S/C11H14O2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9,12H,5-8H2
• InChIKey: GQSHMJMOKOYLBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopropylmethoxy)phenyl]methanol
• IUPAC Traditional name: [2-(cyclopropylmethoxy)phenyl]methanol
• Synonyms: [2-(cyclopropylmethoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11190320
• PubChem SID: 164319291
• PubChem CID: 28945829

CALCULATED PROPERTIES

• Acid pKa: 14.706272
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8288021
• LogD (pH = 7.4): 1.828802
• Log P: 1.8288021
• Molar Refractivity: 51.2791 cm^3
• Polarizability: 20.095297 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.996

Product Information

• Purity: 95%