8-ethyl-2-methylquinolin-4-ol

• ChemBase ID: 87881
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: n1c(cc(c2cccc(c12)CC)O)C
• Canonical SMILES: CCc1cccc2c1nc(C)cc2O
• InChI: InChI=1S/C12H13NO/c1-3-9-5-4-6-10-11(14)7-8(2)13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: VOOFHJQJGZCKJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-ethyl-2-methylquinolin-4-ol
• Synonyms: 8-Ethyl-2-methylquinolin-4-ol; 8-Ethyl-4-hydroxy-2-methylquinoline

Database IDs

• MDL Number: MFCD00272396
• PubChem SID: 162074921
• PubChem CID: 734315

CALCULATED PROPERTIES

• Acid pKa: 11.0588255
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9148962
• LogD (pH = 7.4): 2.9165785
• Log P: 2.9166954
• Molar Refractivity: 56.1939 cm^3
• Polarizability: 22.970533 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%