(8R)-5,6,7,8-tetrahydro(8-2H)quinolin-8-ol

• ChemBase ID: 82129
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: n1c2c(ccc1)CCC[C@H]2O
• Canonical SMILES: O[C@@H]1CCCc2c1nccc2
• InChI: InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6,8,11H,1,3,5H2/t8-/m1/s1
• InChIKey: YCQHYOBSOVFBEB-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8R)-5,6,7,8-tetrahydro(8-^2H)quinolin-8-ol
• IUPAC Traditional name: (8R)-6,7-dihydro(8-^2H)-5H-quinolin-8-ol
• Synonyms: 8H-Deuterio-5,6,7,8-tetrahydroquinolin-8-ol

Database IDs

• MDL Number: MFCD01312583
• PubChem SID: 162069248
• PubChem CID: 2778127

CALCULATED PROPERTIES

• Acid pKa: 13.800268
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0789084
• LogD (pH = 7.4): 1.2087187
• Log P: 1.2106776
• Molar Refractivity: 42.4517 cm^3
• Polarizability: 16.601334 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true