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15297-92-4 molecular structure
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2,2-dimethyl-2H,5H,10H-benzo[g]chromene-5,10-dione

ChemBase ID: 305251
Molecular Formular: C15H12O3
Molecular Mass: 240.25398
Monoisotopic Mass: 240.07864424
SMILES and InChIs

SMILES:
c1ccc2c(c1)C(=O)C1=C(C2=O)OC(C=C1)(C)C
Canonical SMILES:
O=C1C2=C(C=CC(O2)(C)C)C(=O)c2c1cccc2
InChI:
InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
InChIKey:
OWFHAMHRUCUSRM-UHFFFAOYSA-N

Cite this record

CBID:305251 http://www.chembase.cn/molecule-305251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-2H,5H,10H-benzo[g]chromene-5,10-dione
IUPAC Traditional name
2,2-dimethylbenzo[g]chromene-5,10-dione
Synonyms
Dehydrolapachone
Xyloidone
Dehydro-alpha-lapachone
CAS Number
15297-92-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01695
Data Source Data ID Price
BioBioPha
BBP01695 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9462115  LogD (pH = 7.4) 1.9462115 
Log P 1.9462115  Molar Refractivity 70.1479 cm3
Polarizability 25.753897 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Orange powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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