6-methyl-3,4-dihydroquinolin-4-ol

• ChemBase ID: 806644
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: c1cc2c(cc1C)C(CC=N2)O
• Canonical SMILES: Cc1ccc2c(c1)C(O)CC=N2
• InChI: InChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-3,5-6,10,12H,4H2,1H3
• InChIKey: UPCUVTPQNWADBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3,4-dihydroquinolin-4-ol
• IUPAC Traditional name: 6-methyl-3,4-dihydroquinolin-4-ol
• Synonyms: 6-METHYL-3,4-DIHYDRO-QUINOLIN-4-OL

CALCULATED PROPERTIES

• Acid pKa: 14.133096
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4396192
• LogD (pH = 7.4): 1.5228031
• Log P: 1.523977
• Molar Refractivity: 50.1315 cm^3
• Polarizability: 18.20791 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%