3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-1-ol

• ChemBase ID: 248599
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(c(cnc1CCCO)C)OC)C
• Canonical SMILES: OCCCc1ncc(c(c1C)OC)C
• InChI: InChI=1S/C11H17NO2/c1-8-7-12-10(5-4-6-13)9(2)11(8)14-3/h7,13H,4-6H2,1-3H3
• InChIKey: UVRAVNSREMMFJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-1-ol
• IUPAC Traditional name: 3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-1-ol
• Synonyms: 3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-1-ol

Database IDs

• MDL Number: MFCD16824153
• PubChem SID: 164304509
• PubChem CID: 62605421

CALCULATED PROPERTIES

• Acid pKa: 15.960577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.059145365
• LogD (pH = 7.4): 0.89919037
• Log P: 1.464541
• Molar Refractivity: 56.1948 cm^3
• Polarizability: 21.542414 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%