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Aresol
CAS: 93-14-1 | C10H14O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
93-14-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.21799999999996 g/mol
Names and Synonyms:
Aresol
Synonym
Creson
Synonym
Guaifenesin
Synonym
1,2-Propanediol, 3-(2-methoxyphenoxy)-
Synonym
1,2-Propanediol, 3-(o-methoxyphenoxy)-
Synonym
3-(2-Methoxyphenoxy)-1,2-propanediol
Synonym
SL 90
Synonym
Aeronesin
Synonym
1,2-Dihydroxy-3-(2-methoxyphenoxy)propane
Synonym
Dilyn
Synonym
Glycerin guaiacolate
Synonym
Glycerol guaiacolate
Synonym
Glycerol α-(o-methoxyphenyl)ether
Synonym
Glyceryl guaiacolate
Synonym
α-Glyceryl guaiacolate ether
Synonym
Glyceryl guaiacyl ether
Synonym
Glycotuss
Synonym
α-Glyceryl guaiacol ether
Synonym
Guaiacuran
Synonym
Guaiacurane
Synonym
Guaiacyl glyceryl ether
Synonym
Guaiamar
Synonym
Guaianesin
Synonym
Guaiphenesin
Synonym
Guaiphenesine
Synonym
Guajacuran
Synonym
Guayanesin
Synonym
3-(o-Methoxyphenoxy)-1,2-propanediol
Synonym
o-Methoxyphenyl glyceryl ether
Synonym
Methphenoxydiol
Synonym
Myocaine
Synonym
Neuroton
Synonym
Neurotone
Synonym
Oresol
Synonym
Oreson
Synonym
Reorganin
Synonym
Respenyl
Synonym
Resyl
Synonym
Ritussin
Synonym
Guaiacol glyceryl ether
Synonym
Glycerylguaiacol
Synonym
Guaiacol glycerol ether
Synonym
Glyceryl guaiacolate ether
Synonym
Glycerol α-guaiacyl ether
Synonym
Glycerol α-(2-methoxyphenyl) ether
Synonym
XL 90
Synonym
Myoscain
Synonym
Relaxil G
Synonym
Calmipan
Synonym
Tenntuss
Synonym
Tulyn
Synonym
Sirotol
Synonym
Guaiacol glycerin ether
Synonym
Guaifenesin
Synonym
Muskurelax
Synonym
Myocain
Synonym
Hytuss
Synonym
Miocurin
Synonym
Guanar
Synonym
My 301
Synonym
Robitussin
Synonym
Glyceryl guaiacol ether
Synonym
Trecid
Synonym
Hustosil
Synonym
racemic-Guaifenesin
Synonym
Guaifenesine
Synonym
Tenntus
Synonym
Actifed C
Synonym
Equicol
Synonym
Colrex Expectorant
Synonym
Amonidren
Synonym
2-G
Synonym
Glycodex
Synonym
NSC 62112
Synonym
Organidin NR
Synonym
Mucinex
Synonym
Giafen
Synonym
Identifiers:
SMILES:
COc1ccccc1OCC(O)CO
InChI:
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 198.22 g/mol | Legacy Database |
| cas-boiling-point | 215 °C @ Press: 19 Torr None | Legacy Database |
| cas-canonical-smile | OCC(O)COC=1C=CC=CC1OC None | Legacy Database |
| cas-inchi | InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HSRJKNPTNIJEKV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 78.5-79 °C None | Legacy Database |
| cas-name | Guaifenesin None | Legacy Database |
| LogP | 0.4272000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 198.21799999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 198.089208928 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.92 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 51.58160000000003 | RDKit |