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164266086 molecular structure
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(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-one

ChemBase ID: 210176
Molecular Formular: C19H18O5
Molecular Mass: 326.34322
Monoisotopic Mass: 326.11542368
SMILES and InChIs

SMILES:
c12O/C(=C\c3cc(c(cc3)OC)OC)/C(=O)c1ccc(c2C)OC
Canonical SMILES:
COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C)OC
InChI:
InChI=1S/C19H18O5/c1-11-14(21-2)8-6-13-18(20)17(24-19(11)13)10-12-5-7-15(22-3)16(9-12)23-4/h5-10H,1-4H3/b17-10-
InChIKey:
GTRNUFLFVJTJBW-YVLHZVERSA-N

Cite this record

CBID:210176 http://www.chembase.cn/molecule-210176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-2,3-dihydro-1-benzofuran-3-one
IUPAC Traditional name
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-7-methyl-1-benzofuran-3-one
PubChem SID
164266086
PubChem CID
1790175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1790175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.242682  LogD (pH = 7.4) 3.242682 
Log P 3.242682  Molar Refractivity 91.4771 cm3
Polarizability 34.594128 Å3 Polar Surface Area 53.99 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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