IUPAC name
3-(4-chlorophenoxy)propane-1,2-diol
SMILES
OCC(O)COC1=CC=C(Cl)C=C1
Compound class
Muscle Relaxants, Central; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; CYP3A4 Inhibitors;
Therapeutic area
Used along with rest and physical therapy to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux); a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release.
Common name
Chlorphenesin
IUPAC name
3-(4-chlorophenoxy)propane-1,2-diol
SMILES
OCC(O)COC1=CC=C(Cl)C=C1
INCHI
InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
FORMULA
C9H11ClO3
Common name
Chlorphenesin
IUPAC name
3-(4-chlorophenoxy)propane-1,2-diol
Molecular weight
202.635
clogP
1.745
clogS
-1.862
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
49.69
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00094 | (2S)-propane-1,2-diol |
|
C(O)(CO)C | 0.0065 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF01913 | 1-chloro-4-methoxy-benzene |
|
O(c1ccc(cc1)Cl)C | 0.0021 |
| FDBF01914 | 2-(4-chlorophenoxy)ethanol |
|
O(c1ccc(cc1)Cl)CCO | 0.0007 |
7 ,
1
