IUPAC name
4-(4-chlorophenoxy)butanoic acid
SMILES
C(CC(=O)O)COc1ccc(cc1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
4-CPB
IUPAC name
4-(4-chlorophenoxy)butanoic acid
SMILES
C(CC(=O)O)COc1ccc(cc1)Cl
INCHI
InChI=1S/C10H11ClO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
FORMULA
C10H11ClO3
Common name
4-CPB
IUPAC name
4-(4-chlorophenoxy)butanoic acid
Molecular weight
214.646
clogP
2.431
clogS
-2.743
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
46.53
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF01913 | 1-chloro-4-methoxy-benzene |
|
O(c1ccc(cc1)Cl)C | 0.0021 |
| FDBF05583 | 4-hydroxybutanoic acid |
|
OCCCC(=O)O | 0.0017 |
| FDBF05608 | 1-chloro-4-ethoxybenzene |
|
c1(ccc(cc1)Cl)OCC | 0.0007 |
9 ,
1
