Back to Search
Methocarbamol
CAS: 532-03-6 | C11H15NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
532-03-6
Molecular Formula:
C11H15NO5
Molecular Mass:
241.24 g/mol
Names and Synonyms:
Methocarbamol
Relestrid
Tresortil
1-Carbamoyloxy-3-(2′-methoxyphenoxy)-2-propanol
[2-Hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
2-Hydroxy-3-(2-methoxyphenoxy)propyl carbamate
NSC 170960
1,2-Propanediol, 3-(2-methoxyphenoxy)-, 1-carbamate
1,2-Propanediol, 3-(o-methoxyphenoxy)-, 1-carbamate
Carbamic acid, 2-hydroxy-3-(o-methoxyphenoxy)propyl ester
AHR 85
Glycerylguaiacolate carbamate
Guaiacol glyceryl ether carbamate
2-Hydroxy-3-(o-methoxyphenoxy)propyl carbamate
Lumirelax
Methocarbamol
3-(2-Methoxyphenoxy)-1-glyceryl carbamate
3-(o-Methoxyphenoxy)-2-hydroxypropyl carbamate
3-(o-Methoxyphenoxy)-1,2-propanediol 1-carbamate
Neuraxin
Robaxin
Robinax
Guaiphenesin carbamate
Miolaxene
Avetil
Surquetil
Etroflex
Reflexyn
racemic-Methocarbamol
guaiamar carbamate
Traumacut
Robamol
Delaxin
Identifiers:
SMILES:
COc1ccccc1OCC(O)COC(=N)O
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)
Key Properties
Melting Point
92-94 °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 | 241.24 g/mol | CAS Common Chemistry |
| 241.24299999999997 g/mol | RDKit | |
| 241.09502258 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 |
| LogP | 0.9442699999999999 | RDKit |
| Molar Refractivity | 60.80330000000002 | RDKit |
