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Molecule
Resveratrol
CAS: 501-36-0 · C14H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 501-36-0
- Molecular Formula
- C14H12O3
- Molecular Mass
- 228.25 g/mol
Identifiers
CAS Registry Number
501-36-0
SMILES
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChI Key
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Names and Synonyms
- Resveratrol Common Name
- 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]- Synonym
- 3,4′,5-Stilbenetriol Synonym
- Resveratrol Synonym
- 1,3-Benzenediol, 5-[2-(4-hydroxyphenyl)ethenyl]-, (E)- Synonym
- 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol Synonym
- trans-Resveratrol Synonym
- (E)-5-(p-Hydroxystyryl)resorcinol Synonym
- (E)-Resveratrol Synonym
- CA 1201 Synonym
- 3,4′,5-Trihydroxy-trans-stilbene Synonym
- (E)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxyphenyl)ethene Synonym
- (E)-3,4′,5-Trihydroxystilbene Synonym
- Resvida Synonym
- Vineatrol 20M Synonym
- Resveratrol P 5 Synonym
- trans-3,5,4′-Trihydroxystilbene Synonym
- SRT 501M Synonym
- SRT 501 Synonym
- Melinjo Resveratrol 20 Synonym
- Biofort Synonym
- Polygonin Synonym
- Cuspidatin Synonym
- 3,4′,5-Trihydroxystilbene Synonym
- Regu-Fade Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.25 g/mol | CAS Common Chemistry |
| 228.247 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Resveratrol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)C=CC=2C=C(O)C=C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ | CAS Common Chemistry |
| InChI Key | InChIKey=LUKBXSAWLPMMSZ-OWOJBTEDSA-N | CAS Common Chemistry |
| Melting Point | 254 °C | CAS Common Chemistry |
| Name | Resveratrol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | 2.9738000000000016 | RDKit |
| 2.9738 | RDKit | |
| Molar Refractivity | 66.80640000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 228.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 228.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O3.
