Common name
2-(4-chlorophenoxy)ethanol
IUPAC name
2-(4-chlorophenoxy)ethanol
SMILES
O(c1ccc(cc1)Cl)CCO
Common name
2-(4-chlorophenoxy)ethanol
IUPAC name
2-(4-chlorophenoxy)ethanol
SMILES
O(c1ccc(cc1)Cl)CCO
INCHI
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
FORMULA
C8H9ClO2
Common name
2-(4-chlorophenoxy)ethanol
IUPAC name
2-(4-chlorophenoxy)ethanol
Molecular weight
172.609
clogP
2.172
clogS
-2.378
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00716 | Chlorphenesin |
|
Muscle Relaxants, Central; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; CYP3A4 Inhibitors; | 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. |
| FDBD03078 | triadimenol |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dt6_ligand_3_55.mol2 | 4dt6 | 0.882353 | -7.20 | O(c1ccc(Cl)cc1)CC | 10 |
| 4dum_ligand_3_3.mol2 | 4dum | 0.882353 | -7.12 | CCOc1ccc(Cl)cc1 | 10 |
| 4o12_ligand_3_0.mol2 | 4o12 | 0.882353 | -6.57 | O(c1ccc(cc1)Cl)CC | 10 |
| 3hnb_ligand_3_6.mol2 | 3hnb | 0.85 | -5.61 | C(CO)Oc1ccc(Cl)cc1Cl | 12 |
| 4i9h_ligand_3_169.mol2 | 4i9h | 0.842105 | -6.53 | C(CO)Oc1ccccc1Cl | 11 |
| 2p4y_ligand_2_18.mol2 | 2p4y | 0.772727 | -7.01 | [C@@H](C)(C(=O)O)Oc1ccc(cc1)Cl | 13 |
| 4dt6_ligand_2_25.mol2 | 4dt6 | 0.764706 | -6.91 | O(c1ccc(Cl)cc1)C | 9 |
| 3drp_ligand_2_7.mol2 | 3drp | 0.764706 | -6.89 | O(c1ccc(Cl)cc1)C | 9 |
| 3c6u_ligand_2_5.mol2 | 3c6u | 0.764706 | -6.86 | COc1ccc(cc1)Cl | 9 |
| 4dum_ligand_2_4.mol2 | 4dum | 0.764706 | -6.82 | O(c1ccc(Cl)cc1)C | 9 |
105 ,
11
