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

• ChemBase ID: 66434
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: C(O)c1c(cccc1)n1cncc1
• Canonical SMILES: OCc1ccccc1n1cncc1
• InChI: InChI=1S/C10H10N2O/c13-7-9-3-1-2-4-10(9)12-6-5-11-8-12/h1-6,8,13H,7H2
• InChIKey: GQEOSWPDJPLJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25373-56-2
• MDL Number: MFCD05864823
• PubChem SID: 162032172
• PubChem CID: 15724965

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.21445373
• LogD (pH = 7.4): 0.38785207
• Log P: 0.4256
• Molar Refractivity: 60.8223 cm^3
• Polarizability: 19.87661 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.160231
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%