IUPAC name
3-(2-methoxyphenoxy)propane-1,2-diol
SMILES
COC1=CC=CC=C1OCC(O)CO
Compound class
Expectorants; Cough and Cold Preparations; Respiratory System; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants;
Therapeutic area
Used to assist the expectoration of phlegm from the airways in acute respiratory tract infections.
Common name
Guaifenesin
IUPAC name
3-(2-methoxyphenoxy)propane-1,2-diol
SMILES
COC1=CC=CC=C1OCC(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
FORMULA
C10H14O4
Common name
Guaifenesin
IUPAC name
3-(2-methoxyphenoxy)propane-1,2-diol
Molecular weight
198.216
clogP
1.136
clogS
-1.373
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
58.92
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00214 | (2R)-propane-1,2-diol |
|
CC(CO)O | 0.0100 |
| FDBF00215 | 2-phenoxyethanol |
|
C(Oc1ccccc1)CO | 0.0072 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF00477 | 2-methoxyphenol |
|
c1(c(cccc1)O)OC | 0.0079 |
9 ,
1
