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Cis-3,4',5-Trimethoxy-3'-hydroxystilbene

CAT: 0926-FT28521-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28521-01Size:10 mg
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CAS Number
586410-08-4
Synonyms
5-[ (1Z) -2- (3,5-Dimethoxyphenyl) ethenyl]-2-methoxy-phenol
MDL Number
MFCD04973652
Smiles
COC1=C (C=C (C=C1) /C=C\C2=CC (=CC (=C2) OC) OC) O
Molecular Formula
C17H18O4
Molecular Weight
286.32 g/mol
Controlled
No

Chemical Information

Cis-3,4',5-trimethoxy-3'-hydroxystilbene

Phenol, 5-[(1z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- is a stilbenoid.

CAS Number586410-08-4
PubChem CID10108048
IUPAC Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
Molecular FormulaC17H18O4
Molecular Weight286.32
XLogP3.8
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity319
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=C2)OC)OC)O
InChI
InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4-
InChIKey
UQIWTPQGJCCTPA-PLNGDYQASA-N
Chemical Structure
2D Structure
2D structure of Cis-3,4',5-trimethoxy-3'-hydroxystilbene
CAS: 586410-08-4
CID: 10108048
Formula: C17H18O4
MW: 286.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.32
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass286.12050905
Monoisotopic Mass286.12050905
Topological Polar Surface Area47.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity319
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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