2-ethenyl-6-methoxynaphthalene

• ChemBase ID: 798193
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: c1cc2c(cc1OC)ccc(c2)C=C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C=C
• InChI: InChI=1S/C13H12O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h3-9H,1H2,2H3
• InChIKey: DGQUMYDUFBBKPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-6-methoxynaphthalene
• IUPAC Traditional name: 2-ethenyl-6-methoxynaphthalene
• Synonyms: 6-methoxy-2-vinylNaphthalene

Database IDs

• CAS Number: 63444-51-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5417533
• LogD (pH = 7.4): 3.5417533
• Log P: 3.5417533
• Molar Refractivity: 58.6577 cm^3
• Polarizability: 24.01501 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%