1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C21H18F3NO5 — CID 46911310

IUPAC1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCCO
InChIInChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3
InChIKeyJCLKKRZMUZBICB-UHFFFAOYSA-N
MW421.37 g/mol
LogP3.78
Rot. Bonds7

About 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one

1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 46911310) has the molecular formula C21H18F3NO5 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID46911310
Molecular FormulaC21H18F3NO5
Molecular Weight421.37 g/mol
Exact Mass421.11
IUPAC Name1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCCO
InChIInChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3
InChIKeyJCLKKRZMUZBICB-UHFFFAOYSA-N
XLogP3.78
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
CID 46911203
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 58580203
1-[4-(2-hydroxy-2-methylpropoxy)-3-methylsulfonylphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 46911309
1-[4-(2-hydroxypentoxy)-3-methoxyphenyl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 90731798
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
CID 58580238
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one
CID 58092387
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one;4-[(4-fluorophenyl)methoxy]-1-[4-(3-hydroxy-3-methylbutoxy)-3-methoxyphenyl]pyridin-2-one;3-methylbutane-1,3-diol
CID 160563044
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 46911310) is 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one is COc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCCO.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is JCLKKRZMUZBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 421.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 46911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).