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164251610 molecular structure
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3-(4-methoxyphenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one

ChemBase ID: 195700
Molecular Formular: C20H16O4
Molecular Mass: 320.33864
Monoisotopic Mass: 320.10485899
SMILES and InChIs

SMILES:
c12c3c(cc(=O)oc3cc(c1c(co2)c1ccc(cc1)OC)C)C
Canonical SMILES:
COc1ccc(cc1)c1coc2c1c(C)cc1c2c(C)cc(=O)o1
InChI:
InChI=1S/C20H16O4/c1-11-8-16-19(12(2)9-17(21)24-16)20-18(11)15(10-23-20)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChIKey:
LMPFKCPSACTDHQ-UHFFFAOYSA-N

Cite this record

CBID:195700 http://www.chembase.cn/molecule-195700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methoxyphenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one
IUPAC Traditional name
3-(4-methoxyphenyl)-4,9-dimethylfuro[2,3-f]chromen-7-one
PubChem SID
164251610
PubChem CID
907212

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 907212 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 37.184727 Å3 Polar Surface Area 48.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 4.244853  LogD (pH = 7.4) 4.244853 
Log P 4.244853  Molar Refractivity 91.3123 cm3

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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