[2-(pyridin-3-yloxy)phenyl]methanol

• ChemBase ID: 265465
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1(Oc2cnccc2)c(CO)cccc1
• Canonical SMILES: OCc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C12H11NO2/c14-9-10-4-1-2-6-12(10)15-11-5-3-7-13-8-11/h1-8,14H,9H2
• InChIKey: FLSSCQCRCIJTOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyridin-3-yloxy)phenyl]methanol
• IUPAC Traditional name: [2-(pyridin-3-yloxy)phenyl]methanol
• Synonyms: [2-(pyridin-3-yloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD11182955
• PubChem SID: 164321375
• PubChem CID: 43144914

CALCULATED PROPERTIES

• Acid pKa: 14.664176
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4414124
• LogD (pH = 7.4): 1.4878767
• Log P: 1.4885108
• Molar Refractivity: 56.9578 cm^3
• Polarizability: 22.211311 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.705

Product Information

• Purity: 95%