4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

C17H18F3NO2 — CID 16728060

IUPAC4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(C(F)(F)F)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H18F3NO2/c1-5-13-11(4)21-16(22)14(17(18,19)20)15(13)23-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,21,22)
InChIKeyNBIUUJPIWYKGFP-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.67
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one

4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 16728060) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID16728060
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(C(F)(F)F)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C17H18F3NO2/c1-5-13-11(4)21-16(22)14(17(18,19)20)15(13)23-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,21,22)
InChIKeyNBIUUJPIWYKGFP-UHFFFAOYSA-N
XLogP4.67
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 16728060) is 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(C(F)(F)F)c1Oc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NBIUUJPIWYKGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-5-13-11(4)21-16(22)14(17(18,19)20)15(13)23-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one?
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 325.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 16728060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).