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164256161 molecular structure
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3-(2-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one

ChemBase ID: 200251
Molecular Formular: C24H20O5
Molecular Mass: 388.4126
Monoisotopic Mass: 388.13107374
SMILES and InChIs

SMILES:
c1(c(=O)c2c(oc1)cc(OCc1ccc(cc1)C)cc2)Oc1c(OC)cccc1
Canonical SMILES:
COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)C
InChI:
InChI=1S/C24H20O5/c1-16-7-9-17(10-8-16)14-27-18-11-12-19-22(13-18)28-15-23(24(19)25)29-21-6-4-3-5-20(21)26-2/h3-13,15H,14H2,1-2H3
InChIKey:
CHSWTHVCRLATLY-UHFFFAOYSA-N

Cite this record

CBID:200251 http://www.chembase.cn/molecule-200251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one
IUPAC Traditional name
3-(2-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]chromen-4-one
PubChem SID
164256161
PubChem CID
1523001

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1523001 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1490607  LogD (pH = 7.4) 5.1490607 
Log P 5.1490607  Molar Refractivity 110.0956 cm3
Polarizability 42.262966 Å3 Polar Surface Area 53.99 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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