4-(benzyloxy)-2-methoxypyridine

• ChemBase ID: 292376
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: COc1nccc(OCc2ccccc2)c1
• Canonical SMILES: COc1nccc(c1)OCc1ccccc1
• InChI: InChI=1S/C13H13NO2/c1-15-13-9-12(7-8-14-13)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
• InChIKey: BMXORLFQIDWJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-2-methoxypyridine
• IUPAC Traditional name: 4-(benzyloxy)-2-methoxypyridine
• Synonyms: 4-(Benzyloxy)-2-methoxypyridine

Database IDs

• CAS Number: 66080-44-2
• PubChem SID: 180677907
• PubChem CID: 58053784

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.733649
• LogD (pH = 7.4): 2.75883
• Log P: 2.7591615
• Molar Refractivity: 61.7536 cm^3
• Polarizability: 24.05738 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%