(2-methoxyphenyl)(pyridin-2-yl)methanol

• ChemBase ID: 244237
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(C(c2ncccc2)O)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccccn1)O
• InChI: InChI=1S/C13H13NO2/c1-16-12-8-3-2-6-10(12)13(15)11-7-4-5-9-14-11/h2-9,13,15H,1H3
• InChIKey: RYTMGNRIMAHOFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(pyridin-2-yl)methanol
• IUPAC Traditional name: (2-methoxyphenyl)(pyridin-2-yl)methanol
• Synonyms: (2-methoxyphenyl)(pyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD07775220
• PubChem SID: 164300147
• PubChem CID: 23467220

CALCULATED PROPERTIES

• Acid pKa: 12.83476
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.827082
• LogD (pH = 7.4): 1.8481759
• Log P: 1.8484536
• Molar Refractivity: 61.0159 cm^3
• Polarizability: 23.990623 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 0.874

Product Information

• Purity: 95%