1-[(4-methoxyphenyl)methyl]cyclopropan-1-ol

• ChemBase ID: 276687
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C1(CC1)(Cc1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)CC1(O)CC1
• InChI: InChI=1S/C11H14O2/c1-13-10-4-2-9(3-5-10)8-11(12)6-7-11/h2-5,12H,6-8H2,1H3
• InChIKey: HUONNQXJOPGIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxyphenyl)methyl]cyclopropan-1-ol
• IUPAC Traditional name: 1-[(4-methoxyphenyl)methyl]cyclopropan-1-ol
• Synonyms: 1-[(4-methoxyphenyl)methyl]cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840873
• PubChem SID: 164332597
• PubChem CID: 54594305

CALCULATED PROPERTIES

• Acid pKa: 15.07242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7262193
• LogD (pH = 7.4): 1.7262192
• Log P: 1.7262193
• Molar Refractivity: 51.1929 cm^3
• Polarizability: 20.020712 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.596

Product Information

• Purity: 95%