4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one

C21H17ClF3NO3 — CID 67966666

IUPAC4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
SMILESCCn1ccc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1=O
InChIInChI=1S/C21H17ClF3NO3/c1-2-26-10-9-16(12-20(26)27)28-13-14-3-5-15(6-4-14)29-17-7-8-19(22)18(11-17)21(23,24)25/h3-12H,2,13H2,1H3
InChIKeyPAQZIYJTVBJGBN-UHFFFAOYSA-N
MW423.82 g/mol
LogP5.91
Rot. Bonds6

About 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one

4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one (PubChem CID 67966666) has the molecular formula C21H17ClF3NO3 and a molecular weight of 423.82 g/mol. Its IUPAC name is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
PubChem CID67966666
Molecular FormulaC21H17ClF3NO3
Molecular Weight423.82 g/mol
Exact Mass423.08
IUPAC Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
SMILESCCn1ccc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1=O
InChIInChI=1S/C21H17ClF3NO3/c1-2-26-10-9-16(12-20(26)27)28-13-14-3-5-15(6-4-14)29-17-7-8-19(22)18(11-17)21(23,24)25/h3-12H,2,13H2,1H3
InChIKeyPAQZIYJTVBJGBN-UHFFFAOYSA-N
XLogP5.91
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.82
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
1-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylamino]pyrimidin-4-one
CID 118481107
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
tert-butyl N-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethyl]-N-methylcarbamate
CID 67775169
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-5-methyl-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122695267
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidine
CID 122695352

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one?
The IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one (CID 67966666) is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one.
What is the SMILES notation for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one?
The canonical SMILES for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one is CCn1ccc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1=O.
What is the InChIKey of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one?
The InChIKey is PAQZIYJTVBJGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3NO3/c1-2-26-10-9-16(12-20(26)27)28-13-14-3-5-15(6-4-14)29-17-7-8-19(22)18(11-17)21(23,24)25/h3-12H,2,13H2,1H3.
What are the key properties of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one?
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one has a molecular weight of 423.82 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one is sourced from PubChem (CID 67966666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).