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164256324 molecular structure
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(2Z)-3-oxo-2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

ChemBase ID: 200414
Molecular Formular: C24H16O4
Molecular Mass: 368.38144
Monoisotopic Mass: 368.10485899
SMILES and InChIs

SMILES:
C\1(=C\c2ccccc2)/C(=O)c2c(O1)cc(OC(=O)/C=C/c1ccccc1)cc2
Canonical SMILES:
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)/C2=O)/C=C/c1ccccc1
InChI:
InChI=1S/C24H16O4/c25-23(14-11-17-7-3-1-4-8-17)27-19-12-13-20-21(16-19)28-22(24(20)26)15-18-9-5-2-6-10-18/h1-16H/b14-11+,22-15-
InChIKey:
OBQMYRMGQXTDBM-XBQPDYEUSA-N

Cite this record

CBID:200414 http://www.chembase.cn/molecule-200414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-3-oxo-2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
IUPAC Traditional name
(2Z)-3-oxo-2-(phenylmethylidene)-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
PubChem SID
164256324
PubChem CID
1757816

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1757816 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.402301  LogD (pH = 7.4) 5.402301 
Log P 5.402301  Molar Refractivity 108.5949 cm3
Polarizability 40.97129 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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