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Molecule
Etofenprox
CAS: 80844-07-1 · C25H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 80844-07-1
- Molecular Formula
- C25H28O3
- Molecular Mass
- 376.50 g/mol
Identifiers
CAS Registry Number
80844-07-1
SMILES
CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChI Key
YREQHYQNNWYQCJ-UHFFFAOYSA-N
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
Names and Synonyms
- Etofenprox Synonym
- Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy- Synonym
- 1-[[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxybenzene Synonym
- Ethofenprox Synonym
- MTI 500 Synonym
- 2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether Synonym
- Ethophenprox Synonym
- Trebon Synonym
- Ethoproxyfen Synonym
- Etofenprox Synonym
- 4-Ethoxyneophyl 3-phenoxybenzyl ether Synonym
- Ethoproxyphen Synonym
- Etof Synonym
- SA 130301 Synonym
- Safety (insecticide) Synonym
- Zenivex E 20 Synonym
- Myungtaja Synonym
- Vectron Synonym
- Vectron 20WP Synonym
- Trebon Star Synonym
- NIXAM 416X Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.50 g/mol | CAS Common Chemistry |
| 376.49600000000004 g/mol | RDKit | |
| 376.496 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Etofenprox | CAS Common Chemistry |
| Boiling Point | 200 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C2=CC=CC(=C2)COCC(C3=CC=C(OCC)C=C3)(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YREQHYQNNWYQCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37 °C | CAS Common Chemistry |
| Name | Ethofenprox | CAS Common Chemistry |
| Etofenprox | CAS Common Chemistry | |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.372000000000006 | RDKit |
| 6.372 | RDKit | |
| Molar Refractivity | 113.25100000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.28 | RDKit |
| Exact Mass | 376.20384475599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 376.50 g/mol. Edit any field — others recompute live.
