[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]methanol

• ChemBase ID: 803412
• Molecular Formular: C12H14N2O3
• Molecular Mass: 234.25116
• Monoisotopic Mass: 234.10044232
• SMILES: C(O)c1[nH]c(nc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1ncc([nH]1)CO
• InChI: InChI=1S/C12H14N2O3/c1-16-10-4-3-8(5-11(10)17-2)12-13-6-9(7-15)14-12/h3-6,15H,7H2,1-2H3,(H,13,14)
• InChIKey: ZHFYUUBGZGDKSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]methanol
• IUPAC Traditional name: [2-(3,4-dimethoxyphenyl)-3H-imidazol-4-yl]methanol
• Synonyms: [2-(3,4-DIMETHOXYPHENYL)-1H-IMIDAZOL-5-YL]METHANOL

CALCULATED PROPERTIES

• Acid pKa: 11.63037
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2905884
• LogD (pH = 7.4): 0.70621
• Log P: 0.7168549
• Molar Refractivity: 73.7342 cm^3
• Polarizability: 24.90124 Å^3
• Polar Surface Area: 67.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%