6-methoxy-4-methylquinolin-2-ol

• ChemBase ID: 87854
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: n1c(cc(c2cc(ccc12)OC)C)O
• Canonical SMILES: COc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13)
• InChIKey: VGQWDNJRHAWUNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-4-methylquinolin-2-ol
• IUPAC Traditional name: 6-methoxy-4-methylquinolin-2-ol
• Synonyms: 6-Methoxy-4-methylquinolin-2-ol; 2-Hydroxy-6-methoxy-4-methylquinoline; 6-METHOXY-4-METHYL-QUINOLIN-2-OL

Database IDs

• CAS Number: 5342-23-4
• MDL Number: MFCD00760266
• PubChem SID: 162074894
• PubChem CID: 220017

CALCULATED PROPERTIES

• Acid pKa: 12.251094
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7775395
• LogD (pH = 7.4): 2.7775366
• Log P: 2.7775428
• Molar Refractivity: 53.7781 cm^3
• Polarizability: 21.837406 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%