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5,6,7,8-tetrahydroquinolin-8-ol
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ChemBase ID:
293552
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Molecular Formular:
C9H11NO
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Molecular Mass:
149.18974
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Monoisotopic Mass:
149.08406398
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SMILES and InChIs
SMILES:
n1cccc2c1C(CCC2)O
Canonical SMILES:
OC1CCCc2c1nccc2
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
InChIKey:
YCQHYOBSOVFBEB-UHFFFAOYSA-N
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Cite this record
CBID:293552 http://www.chembase.cn/molecule-293552.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5,6,7,8-tetrahydroquinolin-8-ol
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IUPAC Traditional name
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5,6,7,8-tetrahydroquinolin-8-ol
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Synonyms
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5,6,7,8-Tetrahydroquinolin-8-ol
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8-Quinolinol, 5,6,7,8-tetrahydro-
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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13.800268
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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1.0789084
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LogD (pH = 7.4)
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1.2087187
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Log P
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1.2106776
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Molar Refractivity
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42.4517 cm3
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Polarizability
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16.601334 Å3
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Polar Surface Area
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33.12 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent