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22255-22-7 molecular structure
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1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

ChemBase ID: 177422
Molecular Formular: C17H18O3
Molecular Mass: 270.32302
Monoisotopic Mass: 270.12559444
SMILES and InChIs

SMILES:
c1c(cc(cc1/C=C/c1ccc(cc1)OC)OC)OC
Canonical SMILES:
COc1ccc(cc1)/C=C/c1cc(OC)cc(c1)OC
InChI:
InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
InChIKey:
GDHNBPHYVRHYCC-SNAWJCMRSA-N

Cite this record

CBID:177422 http://www.chembase.cn/molecule-177422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
IUPAC Traditional name
1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Synonyms
1,3-Dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]benzene
(E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene
(E)-3,4',5-Trimethoxystilbene
3,5,4'-Trimethoxy-trans-stilbene
Tri-O-methylresveratrol
Resveratrol Trimethyl Ether
CAS Number
22255-22-7
PubChem SID
164233332
PubChem CID
5388063

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC R150050 external link Add to cart
PubChem 5388063 external link
Data Source Data ID Price
TRC
R150050 external link Add to cart Please log in.
Data Source Data ID
PubChem 5388063 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.840073  LogD (pH = 7.4) 3.840073 
Log P 3.840073  Molar Refractivity 80.9024 cm3
Polarizability 31.073248 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - R150050 external link
A resveratrol analog with a variety of pharmacology action, including anti-cancer properties, anti-allergic activity, estrogenic activity, antiangiogenic activity, and vascular-targeting activity against microtubule-destabilization.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cardile, V., etal.: Bioorg. Chem. 33, 22 (2005).
  • • Cushman, M., et al.: J. Med. Chem., 34, 2579 (1991)
  • • Shimada, T., et al.: Cancer Res., 56, 2979 (1991)
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PATENTS

PATENTS

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INTERNET

INTERNET

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