4-(4-ethoxyphenyl)pyridine

• ChemBase ID: 292988
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: CCOc1ccc(cc1)c1ccncc1
• Canonical SMILES: CCOc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C13H13NO/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-10H,2H2,1H3
• InChIKey: YHUFCEAPVPUJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenyl)pyridine
• IUPAC Traditional name: 4-(4-ethoxyphenyl)pyridine
• Synonyms: 4-(4-Ethoxyphenyl)pyridine

Database IDs

• CAS Number: 4357-31-7
• PubChem SID: 180678519
• PubChem CID: 70700933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4529757
• LogD (pH = 7.4): 2.5995953
• Log P: 2.6019354
• Molar Refractivity: 60.2491 cm^3
• Polarizability: 24.816916 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%