3-(2-methoxy-5-methylphenyl)pyridin-2-ol

• ChemBase ID: 744266
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(c2c(nccc2)O)c(ccc(c1)C)OC
• Canonical SMILES: COc1ccc(cc1c1cccnc1O)C
• InChI: InChI=1S/C13H13NO2/c1-9-5-6-12(16-2)11(8-9)10-4-3-7-14-13(10)15/h3-8H,1-2H3,(H,14,15)
• InChIKey: QKONBOVQGYLEQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxy-5-methylphenyl)pyridin-2-ol
• IUPAC Traditional name: 3-(2-methoxy-5-methylphenyl)pyridin-2-ol
• Synonyms: 3-(2-methoxy-5-methylphenyl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.368612
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0492857
• LogD (pH = 7.4): 3.049393
• Log P: 3.049441
• Molar Refractivity: 62.8361 cm^3
• Polarizability: 25.298706 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.28
• LOG S: -2.72
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2