8-methoxyquinoline

• ChemBase ID: 118132
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c12ncccc2cccc1OC
• Canonical SMILES: COc1cccc2c1nccc2
• InChI: InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
• InChIKey: ZLKGGEBOALGXJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinoline
• IUPAC Traditional name: 8-methoxyquinoline
• Synonyms: 8-Methoxyquinoline; 8-Methoxyquinoline; 8-甲氧基喹啉

Database IDs

• CAS Number: 938-33-0
• EC Number: 213-341-7
• MDL Number: MFCD00957068
• PubChem SID: 162089454
• PubChem CID: 70310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9722428
• LogD (pH = 7.4): 1.9732168
• Log P: 1.9732292
• Molar Refractivity: 46.4425 cm^3
• Polarizability: 19.523212 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-41°C
• Partition Coefficient: 2.062
• Hydrophobicity(logP): 2.324

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 95+%; 96%