[2-(2-methyl-1H-imidazol-1-yl)phenyl]methanol

• ChemBase ID: 66428
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: C(O)c1c(cccc1)n1c(ncc1)C
• Canonical SMILES: OCc1ccccc1n1ccnc1C
• InChI: InChI=1S/C11H12N2O/c1-9-12-6-7-13(9)11-5-3-2-4-10(11)8-14/h2-7,14H,8H2,1H3
• InChIKey: ISTAEQZMUZJXTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 914349-47-6
• MDL Number: MFCD05864818
• PubChem SID: 162032166
• PubChem CID: 40428573

CALCULATED PROPERTIES

• Acid pKa: 15.160594
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.38863337
• LogD (pH = 7.4): 0.5692318
• Log P: 0.7084
• Molar Refractivity: 65.263 cm^3
• Polarizability: 21.64252 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%