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Resveratrol Trimethyl Ether
CAS: 22255-22-7 | C17H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22255-22-7
Molecular Formula:
C17H18O3
Molecular Mass:
270.33 g/mol
Names and Synonyms:
Resveratrol Trimethyl Ether
Benzene, 1,3-dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
Stilbene, 3,4′,5-trimethoxy-, (E)-
Benzene, 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (E)-
1,3-Dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]benzene
3,4′,5-Trimethoxy-trans-stilbene
Resveratrol trimethyl ether
Tri-O-methylresveratrol
(E)-3,5,4′-Trimethoxystilbene
3,5,4′-Trimethoxy-trans-stilbene
(E)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxyphenyl)ethene
(E)-2-(3,5-Dimethoxyphenyl)-1-(4-methoxyphenyl)ethene
(E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene
(E)-3,4′,5-Trimethoxystilbene
trans-Trimethoxyresveratrol
BTM 0512
Identifiers:
SMILES:
COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
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+
Key Properties
Melting Point
55-57 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.33 g/mol | CAS Common Chemistry |
| 270.328 g/mol | RDKit | |
| 270.12559443600003 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(C=C1)C=CC=2C=C(OC)C=C(OC)C2)C | CAS Common Chemistry |
| 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+ | CAS Common Chemistry |
| InChI Key | InChIKey=GDHNBPHYVRHYCC-SNAWJCMRSA-N | CAS Common Chemistry |
| Melting Point | 55-57 °C | CAS Common Chemistry |
| Name | Resveratrol trimethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.882800000000003 | RDKit |
| Molar Refractivity | 81.46800000000005 | RDKit |
