3-[3-(propan-2-yloxy)phenyl]pyridin-2-ol

• ChemBase ID: 690022
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(c(c2cc(OC(C)C)ccc2)cccn1)O
• Canonical SMILES: CC(Oc1cccc(c1)c1cccnc1O)C
• InChI: InChI=1S/C14H15NO2/c1-10(2)17-12-6-3-5-11(9-12)13-7-4-8-15-14(13)16/h3-10H,1-2H3,(H,15,16)
• InChIKey: NFNCCFKOVQLBRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(propan-2-yloxy)phenyl]pyridin-2-ol
• IUPAC Traditional name: 3-(3-isopropoxyphenyl)pyridin-2-ol
• Synonyms: 3-(3-isopropoxyphenyl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.526278
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3091984
• LogD (pH = 7.4): 3.3093681
• Log P: 3.3094027
• Molar Refractivity: 66.9623 cm^3
• Polarizability: 27.222805 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.18
• LOG S: -3.59
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3