Common name
2-(2-chlorophenyl)ethanol
IUPAC name
2-(2-chlorophenyl)ethanol
SMILES
c1cc(c(cc1)Cl)CCO
Common name
2-(2-chlorophenyl)ethanol
IUPAC name
2-(2-chlorophenyl)ethanol
SMILES
c1cc(c(cc1)Cl)CCO
INCHI
InChI=1S/C8H9ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
FORMULA
C8H9ClO
Common name
2-(2-chlorophenyl)ethanol
IUPAC name
2-(2-chlorophenyl)ethanol
Molecular weight
156.609
clogP
2.643
clogS
-2.628
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 |
|---|---|---|---|---|
| FDBD03072 | prothioconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bvd_ligand_2_10.mol2 | 5bvd | 0.810811 | -6.58 | c1(cc(ccc1)Cl)CCO | 10 |
| 5bve_ligand_2_5.mol2 | 5bve | 0.810811 | -6.58 | C(c1cc(ccc1)Cl)CO | 10 |
| 5bvf_ligand_2_9.mol2 | 5bvf | 0.810811 | -6.57 | C(O)Cc1cc(ccc1)Cl | 10 |
| 2i40_ligand_2_12.mol2 | 2i40 | 0.736842 | -6.34 | c1(ccccc1Cl)[C@@H](C)O | 10 |
| 1t4e_ligand_1_0.mol2 | 1t4e | 0.714286 | -6.38 | Clc1ccc(cc1)CC(=O)O | 11 |
| 4jq7_ligand_2_12.mol2 | 4jq7 | 0.69697 | -6.71 | C(CO)c1ccccc1 | 9 |
| 4jq8_ligand_2_44.mol2 | 4jq8 | 0.69697 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jrv_ligand_2_54.mol2 | 4jrv | 0.69697 | -6.69 | C(O)Cc1ccccc1 | 9 |
| 4jr3_ligand_2_20.mol2 | 4jr3 | 0.69697 | -6.64 | c1(ccccc1)CCO | 9 |
164 ,
17
