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Trans-3,5-Dimethoxystilbene (Standard)

CAT: 0804-HY-W278867RSize: 1 EachDry Ice: NoHazardous: No
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Description
Trans-3,5-Dimethoxystilbene (cis-Pinosylvin dimethyl ether) is a compound that has been isolated from the benzene extract of the bark of jack pine (Pinus bunksiuna) [1].
CAS Number
21956-56-9
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Inflammation/Immunology
Smiles
COC1=CC(=CC(=C1)/C=C/C2=CC=CC=C2)OC
Molecular Formula
C16H16O2
Molecular Weight
240.30
References & Citations
[1]Extractives of jack pine bark: Occurrence of cis- and trans-pinosylvin dimethyl ether and ferulic acid esters. J.W.Rowe, et al. Phytochemistry. 1969 Jan, 8 (1) : 235-241.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3,5-Dimethoxystilbene

(E)-3,5-Dimethoxystilbene is a stilbenoid.

CAS Number21956-56-9
PubChem CID5316874
IUPAC Name1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
Molecular FormulaC16H16O2
Molecular Weight240.30
XLogP4.1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity244
SMILES
COC1=CC(=CC(=C1)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKey
BIYGTLDPTJMNET-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxystilbene
CAS: 21956-56-9
CID: 5316874
Formula: C16H16O2
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass240.115029749
Monoisotopic Mass240.115029749
Topological Polar Surface Area18.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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