IUPAC name
4-(3,4-dichlorophenoxy)butanoic acid
SMILES
C(CC(=O)O)COc1ccc(c(c1)Cl)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
3,4-DB
IUPAC name
4-(3,4-dichlorophenoxy)butanoic acid
SMILES
C(CC(=O)O)COc1ccc(c(c1)Cl)Cl
INCHI
InChI=1S/C10H10Cl2O3/c11-8-4-3-7(6-9(8)12)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
FORMULA
C10H10Cl2O3
Common name
3,4-DB
IUPAC name
4-(3,4-dichlorophenoxy)butanoic acid
Molecular weight
249.091
clogP
3.095
clogS
-3.509
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 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF05583 | 4-hydroxybutanoic acid |
|
OCCCC(=O)O | 0.0017 |
| FDBF05604 | 3,4-dichlorophenol |
|
c1c(cc(c(c1)Cl)Cl)O | 0.0007 |
6 ,
1
