2-[2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-3-ol

• ChemBase ID: 187700
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: n1c(c(ccc1C)O)CCc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)CCc1nc(C)ccc1O
• InChI: InChI=1S/C14H15NO2/c1-10-2-9-14(17)13(15-10)8-5-11-3-6-12(16)7-4-11/h2-4,6-7,9,16-17H,5,8H2,1H3
• InChIKey: OQSFPJGKCRSQOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-3-ol
• IUPAC Traditional name: 2-[2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-3-ol

Database IDs

• PubChem SID: 164243610
• PubChem CID: 744766

CALCULATED PROPERTIES

• Acid pKa: 9.832658
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7348392
• LogD (pH = 7.4): 2.6418033
• Log P: 2.6900916
• Molar Refractivity: 66.3688 cm^3
• Polarizability: 25.525873 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds