1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one

C17H16F3NO3 — CID 158763587

IUPAC1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one
SMILESCOCC(=O)Cc1cc(Oc2ccc(C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3NO3/c1-11-3-4-14(9-16(11)17(18,19)20)24-15-5-6-21-12(8-15)7-13(22)10-23-2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyNTOXKWMEOFUIPV-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.96
Rot. Bonds6

About 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one

1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one (PubChem CID 158763587) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one
PubChem CID158763587
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one
SMILESCOCC(=O)Cc1cc(Oc2ccc(C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3NO3/c1-11-3-4-14(9-16(11)17(18,19)20)24-15-5-6-21-12(8-15)7-13(22)10-23-2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyNTOXKWMEOFUIPV-UHFFFAOYSA-N
XLogP3.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
CID 157261664
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747015
1-isothiocyanato-4-methylbenzene;methanol;1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one;1-methoxy-3-[4-(4-methyl-3-nitrophenoxy)-2-pyridinyl]propan-2-one
CID 161256235
1-chloro-3-[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]propan-2-one
CID 158043851
4-(4-methyl-3-nitrophenoxy)pyridin-2-amine;1-[4-(4-methyl-3-nitrophenoxy)-2-pyridinyl]propan-2-one
CID 160671563
N-methyl-4-[4-[[2-[4-methyl-3-(trifluoromethyl)anilino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]pyridine-2-carboxamide
CID 159662524
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one (CID 158763587) is 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one is COCC(=O)Cc1cc(Oc2ccc(C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one?
The InChIKey is NTOXKWMEOFUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11-3-4-14(9-16(11)17(18,19)20)24-15-5-6-21-12(8-15)7-13(22)10-23-2/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one?
1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one has a molecular weight of 339.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[4-methyl-3-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 158763587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).