IUPAC name
2-[4-(4-chlorophenoxy)phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
clofop
IUPAC name
2-[4-(4-chlorophenoxy)phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)Cl
INCHI
InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)
FORMULA
C15H13ClO4
Common name
clofop
IUPAC name
2-[4-(4-chlorophenoxy)phenoxy]propanoic acid
Molecular weight
292.714
clogP
3.159
clogS
-3.602
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
55.76
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF03150 | (2S)-2-hydroxypropanoic acid |
|
C(O)(C)C(=O)O | 0.0069 |
| FDBF03947 | (2S)-2-phenoxypropanoic acid |
|
O(c1ccccc1)C(C)C(=O)O | 0.0034 |
8 ,
1
