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 |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00179 | 3-methylbutanoic acid |
|
C(C)(C)CC(=O)O | 0.0027 |
| FDBF04670 | 2-(4-chlorophenyl)acetic acid |
|
C(C(=O)O)c1ccc(cc1)Cl | 0.0014 |
| FDBF04673 | (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid |
|
[C@H](C(=O)O)(C(C)C)c1ccc(cc1)Cl | 0.0014 |
15 ,
2
