IUPAC name
(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
SMILES
CC(C)C(c1ccc(cc1)Cl)C(=O)OCc1cccc(c1)Oc1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
valerate
IUPAC name
(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
SMILES
CC(C)C(c1ccc(cc1)Cl)C(=O)OCc1cccc(c1)Oc1ccccc1
INCHI
InChI=1S/C24H23ClO3/c1-17(2)23(19-11-13-20(25)14-12-19)24(26)27-16-18-7-6-10-22(15-18)28-21-8-4-3-5-9-21/h3-15,17,23H,16H2,1-2H3
FORMULA
C24H23ClO3
Common name
valerate
IUPAC name
(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
Molecular weight
394.891
clogP
6.284
clogS
-6.711
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00101 | methyl acetate |
|
O(C(=O)C)C | 0.0151 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF05562 | methyl 3-methylbutanoate |
|
C(C(=O)OC)C(C)C | 0.0003 |
| FDBF05563 | methyl 2-(4-chlorophenyl)acetate |
|
C(C(=O)OC)c1ccc(cc1)Cl | 0.0003 |
| FDBF05564 | benzyl acetate |
|
c1(ccccc1)COC(=O)C | 0.0007 |
| FDBF05565 | (3-hydroxyphenyl)methyl acetate |
|
Oc1cc(ccc1)COC(=O)C | 0.0003 |
15 ,
2
