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Relaxil
CAS: 59-47-2 | C10H14O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
59-47-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.219 g/mol
Names and Synonyms:
Relaxil
Synonym
Sinan
Synonym
(±)-Mephenesin
Synonym
1,2-Propanediol, 3-(2-methylphenoxy)-
Synonym
1,2-Propanediol, 3-(o-tolyloxy)-
Synonym
3-(2-Methylphenoxy)-1,2-propanediol
Synonym
BDH 312
Synonym
RP 3602
Synonym
Atensin
Synonym
Avosyl
Synonym
o-Cresyl α-glyceryl ether
Synonym
Daserol
Synonym
Decontractyl
Synonym
1,2-Dihydroxy-3-(2-methylphenoxy)propane
Synonym
Dioloxol
Synonym
Glykresin
Synonym
Glyotol
Synonym
Kinavosyl
Synonym
Lissephen
Synonym
Mephedan
Synonym
Mephelor
Synonym
Mephenesin
Synonym
Mephenesine
Synonym
Mephensin
Synonym
Mepherol
Synonym
Mephson
Synonym
3-(o-Methylphenoxy)-1,2-propanediol
Synonym
Myanesin
Synonym
Myanol
Synonym
Myasin
Synonym
Mycocuran
Synonym
Myodetensine
Synonym
Myopan
Synonym
Myoserol
Synonym
Myoten
Synonym
Myoxane
Synonym
Oranixon
Synonym
Prolax
Synonym
Relaxar
Synonym
Spartoloxyn
Synonym
Spasmolyn
Synonym
Stilalgin
Synonym
Thoxidil
Synonym
Tolansin
Synonym
Tolax
Synonym
Tolcil
Synonym
Tolhart
Synonym
Tolosate
Synonym
Toloxyn
Synonym
3-o-Toloxy-1,2-propanediol
Synonym
Tolserol
Synonym
Tolseron
Synonym
Tolsin
Synonym
Tolulexin
Synonym
Tolulox
Synonym
Tolyspaz
Synonym
Cresoxydiol
Synonym
3-(o-Tolyloxy)-1,2-propanediol
Synonym
Glyceryl o-tolyl ether
Synonym
o-Cresyl glycerol ether
Synonym
Cresoxypropanediol
Synonym
Avoxyl
Synonym
Curythan
Synonym
Memphenesin
Synonym
Mephesin
Synonym
Myolysin
Synonym
Renarcol
Synonym
Sansdolor
Synonym
Walconesin
Synonym
Mervaldin
Synonym
Mephin
Synonym
Daserd
Synonym
Myodetensin
Synonym
3-(2-Tolyloxy)-1,2-propanediol
Synonym
3-(2-Methylphenoxy)propane-1,2-diol
Synonym
(±)-Mephenesin
Synonym
Rhex
Synonym
NSC 25234
Synonym
NSC 36140
Synonym
NSC 50788
Synonym
NSC 8134
Synonym
Identifiers:
SMILES:
Cc1ccccc1OCC(O)CO
InChI:
InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Donors | 2 count | RDKit |
| Hydrogen Bond Acceptors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7270199999999998 | RDKit |
| molecular_mass | 182.22 g/mol | Legacy Database |
| cas-boiling-point | 180-184 °C @ Press: 9 Torr None | Legacy Database |
| cas-canonical-smile | OCC(O)COC=1C=CC=CC1C None | Legacy Database |
| cas-inchi | InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JWDYCNIAQWPBHD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 70 °C (decomp) None | Legacy Database |
| cas-name | (±)-Mephenesin None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.76660000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 182.219 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 182.094294308 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |