(R)-(4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 185952
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: c1(n(ccn1)C)[C@@H](c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)[C@H](c1nccn1C)O
• InChI: InChI=1S/C12H14N2O2/c1-14-8-7-13-12(14)11(15)9-3-5-10(16-2)6-4-9/h3-8,11,15H,1-2H3/t11-/m1/s1
• InChIKey: RYIDAUSUVICMLO-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (R)-(4-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (R)-(4-methoxyphenyl)(1-methylimidazol-2-yl)methanol

Database IDs

• PubChem SID: 164241862
• PubChem CID: 771829

CALCULATED PROPERTIES

• Acid pKa: 12.858989
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.84951884
• LogD (pH = 7.4): 1.1566695
• Log P: 1.1630267
• Molar Refractivity: 60.8735 cm^3
• Polarizability: 23.466032 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds