[3-(pyridin-4-yl)phenyl]methanol

• ChemBase ID: 77222
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: n1ccc(cc1)c1cccc(c1)CO
• Canonical SMILES: OCc1cccc(c1)c1ccncc1
• InChI: InChI=1S/C12H11NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-8,14H,9H2
• InChIKey: ZORHPGKUTIFODF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(pyridin-4-yl)phenyl]methanol
• IUPAC Traditional name: [3-(pyridin-4-yl)phenyl]methanol
• Synonyms: 4-[3-(Hydroxymethyl)phenyl]pyridine; 3-(Pyridin-4-yl)benzyl alcohol; [3-(Pyridin-4-yl)phenyl]methanol 97%; (3-pyrid-4-ylphenyl)methanol

Database IDs

• CAS Number: 85553-55-5
• MDL Number: MFCD06659083
• PubChem SID: 162042095
• PubChem CID: 2795564

CALCULATED PROPERTIES

• Acid pKa: 14.9646845
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5170686
• LogD (pH = 7.4): 1.6336759
• Log P: 1.6354489
• Molar Refractivity: 55.8532 cm^3
• Polarizability: 22.905954 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 97%