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164256626 molecular structure
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7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3-phenyl-4H-chromen-4-one

ChemBase ID: 200716
Molecular Formular: C24H18O5
Molecular Mass: 386.39672
Monoisotopic Mass: 386.11542368
SMILES and InChIs

SMILES:
c1(c(=O)c2c(oc1)cc(OCC(=O)c1ccc(cc1)OC)cc2)c1ccccc1
Canonical SMILES:
COc1ccc(cc1)C(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1
InChI:
InChI=1S/C24H18O5/c1-27-18-9-7-17(8-10-18)22(25)15-28-19-11-12-20-23(13-19)29-14-21(24(20)26)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKey:
PQWQSGGFHABTIM-UHFFFAOYSA-N

Cite this record

CBID:200716 http://www.chembase.cn/molecule-200716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3-phenyl-4H-chromen-4-one
IUPAC Traditional name
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3-phenylchromen-4-one
PubChem SID
164256626
PubChem CID
1758705

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1758705 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.853462  H Acceptors
H Donor LogD (pH = 5.5) 4.2544484 
LogD (pH = 7.4) 4.2544484  Log P 4.2544484 
Molar Refractivity 108.5683 cm3 Polarizability 41.78634 Å3
Polar Surface Area 61.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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