1-iodo-2-methoxynaphthalene

• ChemBase ID: 798148
• Molecular Formular: C11H9IO
• Molecular Mass: 284.09303
• Monoisotopic Mass: 283.96981291
• SMILES: c1cc2c(cc1)ccc(c2I)OC
• Canonical SMILES: COc1ccc2c(c1I)cccc2
• InChI: InChI=1S/C11H9IO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
• InChIKey: XZAWOOAVCQUZBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-methoxynaphthalene
• IUPAC Traditional name: 1-iodo-2-methoxynaphthalene
• Synonyms: 1-iodo-2-methoxyNaphthalene

Database IDs

• CAS Number: 32721-21-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7339957
• LogD (pH = 7.4): 3.7339957
• Log P: 3.7339957
• Molar Refractivity: 62.3339 cm^3
• Polarizability: 25.32237 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%