5-methoxyquinoline

• ChemBase ID: 69182
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: n1cccc2c(cccc12)OC
• Canonical SMILES: COc1cccc2c1cccn2
• InChI: InChI=1S/C10H9NO/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
• InChIKey: ZFVRPAOFSPXEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxyquinoline
• IUPAC Traditional name: 5-methoxyquinoline
• Synonyms: 5-Methoxyquinoline

Database IDs

• CAS Number: 6931-19-7
• MDL Number: MFCD02752664
• PubChem SID: 162034911
• PubChem CID: 594377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8570802
• LogD (pH = 7.4): 1.9715315
• Log P: 1.9732292
• Molar Refractivity: 46.4425 cm^3
• Polarizability: 19.519701 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Brown Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%