1-(prop-2-en-1-yloxy)naphthalene

• ChemBase ID: 798122
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: c1cc2c(cc1)cccc2OCC=C
• Canonical SMILES: C=CCOc1cccc2c1cccc2
• InChI: InChI=1S/C13H12O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2
• InChIKey: YNYMCUPQXZBCJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yloxy)naphthalene
• IUPAC Traditional name: 1-(prop-2-en-1-yloxy)naphthalene
• Synonyms: 1-allyloxyNaphthalene

Database IDs

• CAS Number: 20009-25-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5363011
• LogD (pH = 7.4): 3.5363011
• Log P: 3.5363011
• Molar Refractivity: 58.1341 cm^3
• Polarizability: 23.94086 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%