IUPAC name
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OCc2cccc(c2)Oc2ccccc2)C1(C)C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
phenothrin
IUPAC name
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC(=CC1C(C(=O)OCc2cccc(c2)Oc2ccccc2)C1(C)C)C
INCHI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
FORMULA
C23H26O3
Common name
phenothrin
IUPAC name
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
Molecular weight
350.451
clogP
5.343
clogS
-5.343
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF03267 | methyl (1R)-2,2-dimethylcyclopropanecarboxylate |
|
C1(CC1C(=O)OC)(C)C | 0.0110 |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H](C1)C(=O)O)C | 0.0141 |
| FDBF04624 | (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid |
|
[C@H]1(C([C@@H]1C(=O)O)(C)C)C=C(C)C | 0.0041 |
| FDBF04626 | methyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate |
|
COC(=O)[C@@H]1[C@@H](C1(C)C)C=C(C)C | 0.0031 |
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