cyclopropyl(3-methoxyphenyl)methanol

• ChemBase ID: 286492
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C1(CC1)C(c1cc(OC)ccc1)O
• Canonical SMILES: COc1cccc(c1)C(C1CC1)O
• InChI: InChI=1S/C11H14O2/c1-13-10-4-2-3-9(7-10)11(12)8-5-6-8/h2-4,7-8,11-12H,5-6H2,1H3
• InChIKey: OUZSIWJJQXTQGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(3-methoxyphenyl)methanol
• IUPAC Traditional name: cyclopropyl(3-methoxyphenyl)methanol
• Synonyms: cyclopropyl(3-methoxyphenyl)methanol

Database IDs

• MDL Number: MFCD12153715
• PubChem SID: 180672023
• PubChem CID: 12742889

CALCULATED PROPERTIES

• Acid pKa: 14.17191
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8885691
• LogD (pH = 7.4): 1.888569
• Log P: 1.8885691
• Molar Refractivity: 50.9493 cm^3
• Polarizability: 20.094698 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.776

Product Information

• Purity: 95%