2-ethoxy-4-[1-(propan-2-yl)-1H-imidazol-2-yl]phenol

• ChemBase ID: 667762
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: c1(n(ccn1)C(C)C)c1cc(c(cc1)O)OCC
• Canonical SMILES: CCOc1cc(ccc1O)c1nccn1C(C)C
• InChI: InChI=1S/C14H18N2O2/c1-4-18-13-9-11(5-6-12(13)17)14-15-7-8-16(14)10(2)3/h5-10,17H,4H2,1-3H3
• InChIKey: LHWRBQDAXGJYMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-[1-(propan-2-yl)-1H-imidazol-2-yl]phenol
• IUPAC Traditional name: 2-ethoxy-4-(1-isopropylimidazol-2-yl)phenol
• Synonyms: 2-ethoxy-4-(1-isopropyl-1H-imidazol-2-yl)phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617031
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1799853
• LogD (pH = 7.4): 2.7481587
• Log P: 2.7721765
• Molar Refractivity: 81.3712 cm^3
• Polarizability: 27.813349 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.5
• LOG S: -3.13
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4