{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}methanol

• ChemBase ID: 259448
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: c1(n(ccn1)C)COc1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)OCc1nccn1C
• InChI: InChI=1S/C12H14N2O2/c1-14-7-6-13-12(14)9-16-11-4-2-10(8-15)3-5-11/h2-7,15H,8-9H2,1H3
• InChIKey: OESXAOYFSFVFKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}methanol
• IUPAC Traditional name: {4-[(1-methylimidazol-2-yl)methoxy]phenyl}methanol
• Synonyms: {4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}methanol

Database IDs

• MDL Number: MFCD11182298
• PubChem SID: 164315358
• PubChem CID: 39869093

CALCULATED PROPERTIES

• Acid pKa: 15.01851
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.55577594
• LogD (pH = 7.4): 0.94178545
• Log P: 0.95107037
• Molar Refractivity: 61.1282 cm^3
• Polarizability: 23.46758 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.636

Product Information

• Purity: 95%