2-methoxy-8-methylquinoline

• ChemBase ID: 291481
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: Cc1c2nc(OC)ccc2ccc1
• Canonical SMILES: COc1ccc2c(n1)c(C)ccc2
• InChI: InChI=1S/C11H11NO/c1-8-4-3-5-9-6-7-10(13-2)12-11(8)9/h3-7H,1-2H3
• InChIKey: YBPVXEYERZMYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-8-methylquinoline
• IUPAC Traditional name: 2-methoxy-8-methylquinoline
• Synonyms: 2-Methoxy-8-methylquinoline

Database IDs

• CAS Number: 885687-65-0
• MDL Number: MFCD16660313
• PubChem SID: 180677012
• PubChem CID: 53217382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0807524
• LogD (pH = 7.4): 3.0811036
• Log P: 3.081108
• Molar Refractivity: 51.7972 cm^3
• Polarizability: 21.28537 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%