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749922-34-7 molecular structure
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7-(benzyloxy)quinolin-4-ol

ChemBase ID: 92046
Molecular Formular: C16H13NO2
Molecular Mass: 251.27992
Monoisotopic Mass: 251.09462866
SMILES and InChIs

SMILES:
n1ccc(c2ccc(cc12)OCc1ccccc1)O
Canonical SMILES:
Oc1ccnc2c1ccc(c2)OCc1ccccc1
InChI:
InChI=1S/C16H13NO2/c18-16-8-9-17-15-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,17,18)
InChIKey:
KWQRHYWEGFFXKV-UHFFFAOYSA-N

Cite this record

CBID:92046 http://www.chembase.cn/molecule-92046.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(benzyloxy)quinolin-4-ol
IUPAC Traditional name
7-(benzyloxy)quinolin-4-ol
Synonyms
7-(Benzyloxy)quinolin-4-ol
7-(Benzyloxy)-4-hydroxyquinoline
7-(Benzyloxy)quinolin-4-ol
CAS Number
749922-34-7
MDL Number
MFCD06659963
PubChem SID
162078744
PubChem CID
21075752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21075752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.694542  H Acceptors
H Donor LogD (pH = 5.5) 3.3930297 
LogD (pH = 7.4) 3.3939059  Log P 3.394137 
Molar Refractivity 73.036 cm3 Polarizability 29.69868 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
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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