4-(3,5-dimethoxyphenyl)-2,6-dimethylpyridine

• ChemBase ID: 606743
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(c2cc(cc(c2)OC)OC)cc(nc(c1)C)C
• Canonical SMILES: COc1cc(OC)cc(c1)c1cc(C)nc(c1)C
• InChI: InChI=1S/C15H17NO2/c1-10-5-12(6-11(2)16-10)13-7-14(17-3)9-15(8-13)18-4/h5-9H,1-4H3
• InChIKey: FUKSXSPEWBCYHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethoxyphenyl)-2,6-dimethylpyridine
• IUPAC Traditional name: 4-(3,5-dimethoxyphenyl)-2,6-dimethylpyridine
• Synonyms: 4-(3,5-dimethoxyphenyl)-2,6-dimethylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4820071
• LogD (pH = 7.4): 2.3139381
• Log P: 2.3501966
• Molar Refractivity: 71.1467 cm^3
• Polarizability: 28.975752 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -3.47
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3