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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
Names and Synonyms:
4-Methoxyresveratrol
1,3-Benzenediol, 5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
1,3-Benzenediol, 5-[2-(4-methoxyphenyl)ethenyl]-, (E)-
3,5-Stilbenediol, 4′-methoxy-, (E)-
5-[(1E)-2-(4-Methoxyphenyl)ethenyl]-1,3-benzenediol
Desoxyrhapontigenin
(E)-3,5-Dihydroxy-4′-methoxystilbene
4-Methoxyresveratrol
BML 233
trans-3,5-Dihydroxy-4′-methoxystilbene
3,5-Dihydroxy-4′-methoxy-trans-stilbene
Resveratrol 4′-methyl ether
Deoxyrhapontigenin
4′-O-Methylresveratrol
Identifiers:
SMILES:
COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
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+
Key Properties
Melting Point
158-166 °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 | 242.27 g/mol | CAS Common Chemistry |
| 242.274 g/mol | RDKit | |
| 242.094294308 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 |
| Molar Refractivity | 71.69360000000002 | RDKit |
