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8,8,10-trimethyl-4-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
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ChemBase ID:
200428
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Molecular Formular:
C21H20O3
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Molecular Mass:
320.3817
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Monoisotopic Mass:
320.1412445
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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
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Cite this record
CBID:200428 http://www.chembase.cn/molecule-200428.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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8,8,10-trimethyl-4-phenyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one
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IUPAC Traditional name
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8,8,10-trimethyl-4-phenyl-6H,7H-pyrano[3,2-g]chromen-2-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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4.753917
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LogD (pH = 7.4)
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4.753917
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Log P
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4.753917
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Molar Refractivity
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103.5733 cm3
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Polarizability
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36.130585 Å3
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Polar Surface Area
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35.53 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Derivatives & analogs of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent