2-methoxyquinoline

• ChemBase ID: 289472
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: COc1nc2ccccc2cc1
• Canonical SMILES: COc1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H9NO/c1-12-10-7-6-8-4-2-3-5-9(8)11-10/h2-7H,1H3
• InChIKey: ZTQNUTNKGQGWCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyquinoline
• IUPAC Traditional name: 2-methoxyquinoline
• Synonyms: 2-Methoxyquinoline

Database IDs

• CAS Number: 6931-16-4
• MDL Number: MFCD01070847
• PubChem SID: 180675003
• PubChem CID: 138869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.567374
• LogD (pH = 7.4): 2.5676827
• Log P: 2.5676868
• Molar Refractivity: 46.756 cm^3
• Polarizability: 19.519985 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%