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Molecule
Reflexyn
CAS: 532-03-6 · C11H15NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 532-03-6
- Molecular Formula
- C11H15NO5
- Molecular Mass
- 241.24 g/mol
Identifiers
CAS Registry Number
532-03-6
SMILES
COc1ccccc1OCC(O)COC(=N)O
InChI Key
GNXFOGHNGIVQEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
Names and Synonyms
- Reflexyn Synonym
- Methocarbamol Synonym
- Relestrid Synonym
- Tresortil Synonym
- 1-Carbamoyloxy-3-(2′-methoxyphenoxy)-2-propanol Synonym
- [2-Hydroxy-3-(2-methoxyphenoxy)propyl] carbamate Synonym
- 2-Hydroxy-3-(2-methoxyphenoxy)propyl carbamate Synonym
- NSC 170960 Synonym
- 1,2-Propanediol, 3-(2-methoxyphenoxy)-, 1-carbamate Synonym
- 1,2-Propanediol, 3-(o-methoxyphenoxy)-, 1-carbamate Synonym
- Carbamic acid, 2-hydroxy-3-(o-methoxyphenoxy)propyl ester Synonym
- AHR 85 Synonym
- Glycerylguaiacolate carbamate Synonym
- Guaiacol glyceryl ether carbamate Synonym
- 2-Hydroxy-3-(o-methoxyphenoxy)propyl carbamate Synonym
- Lumirelax Synonym
- Methocarbamol Synonym
- 3-(2-Methoxyphenoxy)-1-glyceryl carbamate Synonym
- 3-(o-Methoxyphenoxy)-2-hydroxypropyl carbamate Synonym
- 3-(o-Methoxyphenoxy)-1,2-propanediol 1-carbamate Synonym
- Neuraxin Synonym
- Robaxin Synonym
- Robinax Synonym
- Guaiphenesin carbamate Synonym
- Miolaxene Synonym
- Avetil Synonym
- Surquetil Synonym
- Etroflex Synonym
- racemic-Methocarbamol Synonym
- guaiamar carbamate Synonym
- Traumacut Synonym
- Robamol Synonym
- Delaxin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.24 g/mol | CAS Common Chemistry |
| 241.24299999999997 g/mol | RDKit | |
| 241.243 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(O)COC=1C=CC=CC1OC)N | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GNXFOGHNGIVQEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-94 °C | CAS Common Chemistry |
| Name | Methocarbamol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.00000000000001 Ų | RDKit |
| 92.0 Ų | RDKit | |
| LogP | 0.9442699999999999 | RDKit |
| 0.9443 | RDKit | |
| Molar Refractivity | 60.80330000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 241.09502258 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
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120
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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.
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MW = 241.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H15NO5.
