2-(benzyloxy)-6-(4-methylphenyl)pyridine

• ChemBase ID: 796679
• Molecular Formular: C19H17NO
• Molecular Mass: 275.34438
• Monoisotopic Mass: 275.13101417
• SMILES: n1c(cccc1c1ccc(cc1)C)OCc1ccccc1
• Canonical SMILES: Cc1ccc(cc1)c1cccc(n1)OCc1ccccc1
• InChI: InChI=1S/C19H17NO/c1-15-10-12-17(13-11-15)18-8-5-9-19(20-18)21-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3
• InChIKey: BVMHLZHFGCPWRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-6-(4-methylphenyl)pyridine
• IUPAC Traditional name: 2-(benzyloxy)-6-(4-methylphenyl)pyridine
• Synonyms: 2-(Benzyloxy)-6-(p-tolyl)pyridine

Database IDs

• CAS Number: 887448-98-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4630394
• LogD (pH = 7.4): 5.463326
• Log P: 5.46333
• Molar Refractivity: 85.0958 cm^3
• Polarizability: 34.387157 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%