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164266082 molecular structure
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(2Z)-6-methoxy-2-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzofuran-3-one

ChemBase ID: 210172
Molecular Formular: C18H16O4
Molecular Mass: 296.31724
Monoisotopic Mass: 296.10485899
SMILES and InChIs

SMILES:
c12O/C(=C\c3ccc(cc3)OC)/C(=O)c1ccc(c2C)OC
Canonical SMILES:
COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C)OC
InChI:
InChI=1S/C18H16O4/c1-11-15(21-3)9-8-14-17(19)16(22-18(11)14)10-12-4-6-13(20-2)7-5-12/h4-10H,1-3H3/b16-10-
InChIKey:
GZIQZGYERFODSL-YBEGLDIGSA-N

Cite this record

CBID:210172 http://www.chembase.cn/molecule-210172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-6-methoxy-2-[(4-methoxyphenyl)methylidene]-7-methyl-2,3-dihydro-1-benzofuran-3-one
IUPAC Traditional name
(2Z)-6-methoxy-2-[(4-methoxyphenyl)methylidene]-7-methyl-1-benzofuran-3-one
PubChem SID
164266082
PubChem CID
1790137

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1790137 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4003532  LogD (pH = 7.4) 3.4003532 
Log P 3.4003532  Molar Refractivity 85.0139 cm3
Polarizability 32.068497 Å3 Polar Surface Area 44.76 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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