3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine

• ChemBase ID: 614922
• Molecular Formular: C16H19NO3
• Molecular Mass: 273.32696
• Monoisotopic Mass: 273.13649347
• SMILES: n1c(c2ccc(cc2)OCCOC)c(ccc1C)OC
• Canonical SMILES: COCCOc1ccc(cc1)c1nc(C)ccc1OC
• InChI: InChI=1S/C16H19NO3/c1-12-4-9-15(19-3)16(17-12)13-5-7-14(8-6-13)20-11-10-18-2/h4-9H,10-11H2,1-3H3
• InChIKey: OSHGJHCJIGEXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
• IUPAC Traditional name: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine
• Synonyms: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]-6-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3918319
• LogD (pH = 7.4): 2.5551515
• Log P: 2.557701
• Molar Refractivity: 77.2267 cm^3
• Polarizability: 31.566488 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.67
• LOG S: -3.47
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 6