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164256338 molecular structure
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8,8,10-trimethyl-4-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one

ChemBase ID: 200428
Molecular Formular: C21H20O3
Molecular Mass: 320.3817
Monoisotopic Mass: 320.1412445
SMILES and InChIs

SMILES:
c12c(c(c3c(c2)CCC(O3)(C)C)C)oc(=O)cc1c1ccccc1
Canonical SMILES:
O=c1oc2c(C)c3OC(C)(C)CCc3cc2c(c1)c1ccccc1
InChI:
InChI=1S/C21H20O3/c1-13-19-15(9-10-21(2,3)24-19)11-17-16(12-18(22)23-20(13)17)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
InChIKey:
JOLJNTWASIKECV-UHFFFAOYSA-N

Cite this record

CBID:200428 http://www.chembase.cn/molecule-200428.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8,8,10-trimethyl-4-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
IUPAC Traditional name
8,8,10-trimethyl-4-phenyl-6H,7H-pyrano[3,2-g]chromen-2-one
PubChem SID
164256338
PubChem CID
908498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 908498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.753917  LogD (pH = 7.4) 4.753917 
Log P 4.753917  Molar Refractivity 103.5733 cm3
Polarizability 36.130585 Å3 Polar Surface Area 35.53 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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