Common name
(1R)-1-(2-chlorophenyl)ethanol
IUPAC name
(1R)-1-(2-chlorophenyl)ethanol
SMILES
Clc1c(cccc1)C(O)C
Common name
(1R)-1-(2-chlorophenyl)ethanol
IUPAC name
(1R)-1-(2-chlorophenyl)ethanol
SMILES
Clc1c(cccc1)C(O)C
INCHI
InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
FORMULA
C8H9ClO
Common name
(1R)-1-(2-chlorophenyl)ethanol
IUPAC name
(1R)-1-(2-chlorophenyl)ethanol
Molecular weight
156.609
clogP
2.472
clogS
-2.254
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01322 | Clofedanol |
|
Histamine Antagonists; Cough and Cold Preparations; Respiratory System; | Used in the treatment of dry cough. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i40_ligand_2_12.mol2 | 2i40 | 1 | -6.34 | c1(ccccc1Cl)[C@@H](C)O | 10 |
| 3m67_ligand_2_7.mol2 | 3m67 | 0.833333 | -6.87 | [C@@H](O)(C)c1ccc(cc1)Cl | 10 |
| 1w83_ligand_2_0.mol2 | 1w83 | 0.818182 | -6.88 | OCc1c(Cl)cccc1 | 9 |
| 3asx_ligand_1_3.mol2 | 3asx | 0.818182 | -6.79 | Clc1c(cccc1)CO | 9 |
| 1wbn_ligand_2_7.mol2 | 1wbn | 0.818182 | -6.74 | OCc1c(cccc1)Cl | 9 |
| 3gw5_ligand_1_0.mol2 | 3gw5 | 0.810811 | -6.90 | [C@H](O)(c1cccc(c1)Cl)C | 10 |
| 3bla_ligand_2_0.mol2 | 3bla | 0.810811 | -6.66 | O[C@H](c1cc(ccc1)Cl)C | 10 |
| 1mzs_ligand_2_27.mol2 | 1mzs | 0.771429 | -7.08 | C(O)c1c(Cl)cccc1Cl | 10 |
100 ,
11
