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477601-28-8 molecular structure
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6-methoxyquinolin-8-ol

ChemBase ID: 52801
Molecular Formular: C10H9NO2
Molecular Mass: 175.18396
Monoisotopic Mass: 175.06332853
SMILES and InChIs

SMILES:
c1c(cc2c(c1O)nccc2)OC
Canonical SMILES:
COc1cc(O)c2c(c1)cccn2
InChI:
InChI=1S/C10H9NO2/c1-13-8-5-7-3-2-4-11-10(7)9(12)6-8/h2-6,12H,1H3
InChIKey:
NAKFRQULMGLXBT-UHFFFAOYSA-N

Cite this record

CBID:52801 http://www.chembase.cn/molecule-52801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxyquinolin-8-ol
IUPAC Traditional name
6-methoxyquinolin-8-ol
Synonyms
6-Methoxyquinolin-8-ol
CAS Number
477601-28-8
MDL Number
MFCD09263467
PubChem SID
162057564
PubChem CID
18009170

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057490 external link Add to cart Please log in.
Data Source Data ID
PubChem 18009170 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.688246  H Acceptors
H Donor LogD (pH = 5.5) 1.6533515 
LogD (pH = 7.4) 1.6471549  Log P 1.6696639 
Molar Refractivity 48.4234 cm3 Polarizability 20.077082 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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