Etofenprox

C25H28O3 — CID 71245

IUPAC1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChIInChI=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
InChIKeyYREQHYQNNWYQCJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.00
Rot. Bonds9

About Etofenprox

Etofenprox (PubChem CID 71245) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound NameEtofenprox
PubChem CID71245
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChIInChI=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
InChIKeyYREQHYQNNWYQCJ-UHFFFAOYSA-N
XLogP7.00
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity422

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Cyclofenil
CID 2898
Chlorotrianisene
CID 11289
Triton X 100
CID 5590
4-Methoxybiphenyl
CID 11943
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
2-Ethoxynaphthalene
CID 7129
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
2-(2-Methylpropoxy)naphthalene
CID 16582
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354

Frequently Asked Questions

What is the IUPAC name of Etofenprox?
The IUPAC name of Etofenprox (CID 71245) is 1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for Etofenprox?
The canonical SMILES for Etofenprox is CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3.
What is the InChIKey of Etofenprox?
The InChIKey is YREQHYQNNWYQCJ-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of Etofenprox?
Etofenprox has a molecular weight of 376.50 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Etofenprox is sourced from PubChem (CID 71245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).