Etofenprox
| PubChem CID | 71245 |
| Molecular Formula | C25H28O3 |
| Structure |
|
| Synonyms |
Etofenprox
80844-07-1 Ethofenprox 1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxybenzene Ethophenprox Etofenprox [INN] 1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene 3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether 1705649-55-3 DTXSID9032610 CHEBI:39348 Trebon 0LD7P9153C Etofenprox (INN) Etofenprox 10 microg/mL in Cyclohexane Etofenprox 10 microg/mL in Acetonitrile Etofenprox 100 microg/mL in Acetonitrile Etofenproxum [Latin] Etofenproxum 1-{[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene 2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether MTI 500 BRN 7047812 UNII-0LD7P9153C 1-ethoxy-4-{2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl}benzene C25H28O3 ETOFENPROX [MI] ETOFENPROX [JAN] 1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy- EC 407-980-2 ETOFENPROX [MART.] SCHEMBL27691 MLS004774036 CHEMBL2105573 DTXCID7012610 GLXC-25870 HY-B0816 Tox21_300378 alpha-((p-Ethoxy-beta,beta-dimethylphenethyl)oxy)-m-phenoxytoluene MFCD00210287 AKOS015896468 DS-2089 NCGC00163891-01 NCGC00163891-02 NCGC00254410-01 1ST20209 AC-12690 Etofenprox-d5 100 microg/mL in Acetone SMR000855767 Etofenprox-d5 100 Amicrog/mL in Acetone CAS-80844-07-1 DB-056465 CS-0012833 NS00002113 Etofenprox, PESTANAL(R), analytical standard C18410 D09202 O10240 A841298 SR-01000883714 Q2415193 SR-01000883714-1 3-Phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether 1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)-methyl)-3-phenoxybenzene .ALPHA.-((P-ETHOXY-B,B-DIMETHYLPHENETHYL)OXY)-M-PHENOXYTOLUENE .alpha.-[(p-Ethoxy-.beta.,.beta.-dimethylphenethyl)oxy]-m-phenoxytoluene |
Computed Descriptors
| IUPAC Name | 1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene |
| SMILES | CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| Canonical SMILES | CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| 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 |
| InChIKey | YREQHYQNNWYQCJ-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 376.5 g/mol |
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 376.204 |
| Monoisotopic Mass | 376.204 |
| Topological Polar Surface Area | 27.7 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 422 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
5 pairs of Verified P450 and Etofenprox
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Laodelphax striatellus | CYP301B1 | D,X | |
| Laodelphax striatellus | CYP4FB1 | D,X | |
| Nilaparvata lugens | CYP425A1 | R | |
| Nilaparvata lugens | CYP6AY1 | R | |
| Nilaparvata lugens | CYP6FUL | R |