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Spartoloxyn
CAS: 59-47-2 | C10H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 59-47-2
- Molecular Formula
- C10H14O3
- Molecular Mass
- 182.22 g/mol
Identifiers
CAS Registry Number
59-47-2
SMILES
Cc1ccccc1OCC(O)CO
InChI Key
JWDYCNIAQWPBHD-UHFFFAOYSA-N
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
Names and Synonyms
- Spartoloxyn 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
- Relaxil Synonym
- Sinan 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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.22 g/mol | CAS Common Chemistry |
| 182.219 g/mol | RDKit | |
| Canonical SMILES | OCC(O)COC=1C=CC=CC1C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JWDYCNIAQWPBHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Mephenesin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 0.7270199999999998 | RDKit |
| 0.727 | RDKit | |
| Molar Refractivity | 49.76660000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 182.094294308 g/mol | RDKit |
| Boiling Point | 180-184 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C10H14O3.
