4-[4-(benzyloxy)phenyl]pyridine

• ChemBase ID: 292989
• Molecular Formular: C18H15NO
• Molecular Mass: 261.3178
• Monoisotopic Mass: 261.11536411
• SMILES: C(Oc1ccc(cc1)c1ccncc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C18H15NO/c1-2-4-15(5-3-1)14-20-18-8-6-16(7-9-18)17-10-12-19-13-11-17/h1-13H,14H2
• InChIKey: JCQIAAIJMJAXCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(benzyloxy)phenyl]pyridine
• IUPAC Traditional name: 4-[4-(benzyloxy)phenyl]pyridine
• Synonyms: 4-(4-(Benzyloxy)phenyl)pyridine

Database IDs

• CAS Number: 627906-66-5
• PubChem SID: 180678520
• PubChem CID: 22648862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8212798
• LogD (pH = 7.4): 3.967273
• Log P: 3.9696007
• Molar Refractivity: 80.1131 cm^3
• Polarizability: 32.612186 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%