Common name
(1R)-1-(2-chlorophenyl)propan-1-ol
IUPAC name
(1R)-1-(2-chlorophenyl)propan-1-ol
SMILES
Clc1c(cccc1)C(O)CC
Common name
(1R)-1-(2-chlorophenyl)propan-1-ol
IUPAC name
(1R)-1-(2-chlorophenyl)propan-1-ol
SMILES
Clc1c(cccc1)C(O)CC
INCHI
InChI=1S/C9H11ClO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3/t9-/m1/s1
FORMULA
C9H11ClO
Common name
(1R)-1-(2-chlorophenyl)propan-1-ol
IUPAC name
(1R)-1-(2-chlorophenyl)propan-1-ol
Molecular weight
170.636
clogP
2.805
clogS
-2.667
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| 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 | 0.846154 | -6.34 | c1(ccccc1Cl)[C@@H](C)O | 10 |
| 3gw5_ligand_2_1.mol2 | 3gw5 | 0.795455 | -7.07 | CC[C@@H](O)c1cccc(c1)Cl | 11 |
| 4gv1_ligand_3_1.mol2 | 4gv1 | 0.72093 | -6.02 | Clc1ccc(cc1)CCCO | 11 |
| 4ohk_ligand_2_7.mol2 | 4ohk | 0.717949 | -6.96 | CC[C@@H](O)c1ccccc1 | 10 |
| 3m67_ligand_2_7.mol2 | 3m67 | 0.714286 | -6.87 | [C@@H](O)(C)c1ccc(cc1)Cl | 10 |
| 3gw5_ligand_1_0.mol2 | 3gw5 | 0.697674 | -6.90 | [C@H](O)(c1cccc(c1)Cl)C | 10 |
| 3bla_ligand_2_0.mol2 | 3bla | 0.697674 | -6.66 | O[C@H](c1cc(ccc1)Cl)C | 10 |
| 1w83_ligand_2_0.mol2 | 1w83 | 0.692308 | -6.88 | OCc1c(Cl)cccc1 | 9 |
363 ,
37
