Back to Search
Molecule
4-Methoxyresveratrol
CAS: 33626-08-3 · C15H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33626-08-3
- Molecular Formula
- C15H14O3
- Molecular Mass
- 242.27 g/mol
Identifiers
CAS Registry Number
33626-08-3
SMILES
COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChI Key
IHVRWFJGOIWMGC-NSCUHMNNSA-N
InChI
InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
Names and Synonyms
- 4-Methoxyresveratrol Synonym
- 1,3-Benzenediol, 5-[(1E)-2-(4-methoxyphenyl)ethenyl]- Synonym
- 1,3-Benzenediol, 5-[2-(4-methoxyphenyl)ethenyl]-, (E)- Synonym
- 3,5-Stilbenediol, 4′-methoxy-, (E)- Synonym
- 5-[(1E)-2-(4-Methoxyphenyl)ethenyl]-1,3-benzenediol Synonym
- Desoxyrhapontigenin Synonym
- (E)-3,5-Dihydroxy-4′-methoxystilbene Synonym
- 4-Methoxyresveratrol Synonym
- BML 233 Synonym
- trans-3,5-Dihydroxy-4′-methoxystilbene Synonym
- 3,5-Dihydroxy-4′-methoxy-trans-stilbene Synonym
- Resveratrol 4′-methyl ether Synonym
- Deoxyrhapontigenin Synonym
- 4′-O-Methylresveratrol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.27 g/mol | CAS Common Chemistry |
| 242.274 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Methoxyresveratrol | CAS Common Chemistry |
| Canonical SMILES | OC=1C=C(O)C=C(C=CC2=CC=C(OC)C=C2)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+ | CAS Common Chemistry |
| InChI Key | InChIKey=IHVRWFJGOIWMGC-NSCUHMNNSA-N | CAS Common Chemistry |
| Melting Point | 158-166 °C | CAS Common Chemistry |
| Name | Desoxyrhapontigenin | CAS Common Chemistry |
| 4-Methoxyresveratrol | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 3.2768000000000024 | RDKit |
| 3.2768 | RDKit | |
| Molar Refractivity | 71.69360000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 242.094294308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 242.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O3.
