IUPAC name
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxybenzene
SMILES
CCOc1ccc(cc1)C(C)(C)COCc1cccc(c1)Oc1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
etofenprox
IUPAC name
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxybenzene
SMILES
CCOc1ccc(cc1)C(C)(C)COCc1cccc(c1)Oc1ccccc1
INCHI
InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
FORMULA
C25H28O3
Common name
etofenprox
IUPAC name
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxybenzene
Molecular weight
376.488
clogP
6.186
clogS
-7.050
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
27.69
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00020 | 2-methylpropan-1-ol |
|
C(O)C(C)C | 0.0031 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF01388 | methoxymethylbenzene |
|
O(C)Cc1ccccc1 | 0.0045 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF03474 | 4-isopropylphenol |
|
c1(ccc(cc1)C(C)C)O | 0.0010 |
| FDBF03477 | 4-tert-butylphenol |
|
CC(c1ccc(cc1)O)(C)C | 0.0014 |
| FDBF04961 | (1-methoxy-2-methylpropan-2-yl)benzene |
|
O(CC(C)(C)c1ccccc1)C | 0.0007 |
| FDBF04962 | 4-(1-methoxy-2-methylpropan-2-yl)phenol |
|
O(CC(C)(C)c1ccc(O)cc1)C | 0.0007 |
23 ,
3
