IUPAC name
2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one
SMILES
CCCC(=NOCC(C)Oc1ccc(cc1)Cl)C1=C(CC(CC1=O)C1CCCSC1)O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
profoxydim
IUPAC name
2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one
SMILES
CCCC(=NOCC(C)Oc1ccc(cc1)Cl)C1=C(CC(CC1=O)C1CCCSC1)O
INCHI
InChI=1/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3
FORMULA
C24H32ClNO4S
Common name
profoxydim
IUPAC name
2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-2-cyclohexen-1-one
Molecular weight
466.033
clogP
6.060
clogS
-5.867
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
93.42
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF01439 | 1-chloro-4-isopropoxy-benzene |
|
O(c1ccc(cc1)Cl)C(C)C | 0.0010 |
| FDBF05608 | 1-chloro-4-ethoxybenzene |
|
c1(ccc(cc1)Cl)OCC | 0.0007 |
| FDBF05949 | thiane |
|
C1CSCCC1 | 0.0007 |
8 ,
1
