2-(1-methyl-1H-imidazol-2-yl)phenol

• ChemBase ID: 798988
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(c(cccc1)c1n(ccn1)C)O
• Canonical SMILES: Oc1ccccc1c1nccn1C
• InChI: InChI=1S/C10H10N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h2-7,13H,1H3
• InChIKey: CLROAKSNPWGIEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-imidazol-2-yl)phenol
• IUPAC Traditional name: 2-(1-methylimidazol-2-yl)phenol
• Synonyms: 2-(1-methyl-1H-imidazol-2-yl)phenol

Database IDs

• CAS Number: 52755-94-9

CALCULATED PROPERTIES

• Acid pKa: 9.140883
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3418468
• LogD (pH = 7.4): 1.7784957
• Log P: 1.7996567
• Molar Refractivity: 60.992 cm^3
• Polarizability: 19.78002 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%