4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

C24H23F2NO4 — CID 58580250

IUPAC4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(C=Cc3ccc(F)c(F)c3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C24H23F2NO4/c1-24(2,29)15-31-21-9-7-18(14-22(21)30-3)27-11-10-17(13-23(27)28)5-4-16-6-8-19(25)20(26)12-16/h4-14,29H,15H2,1-3H3
InChIKeyITNNUUFRYFJGBG-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.44
Rot. Bonds7

About 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (PubChem CID 58580250) has the molecular formula C24H23F2NO4 and a molecular weight of 427.45 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
PubChem CID58580250
Molecular FormulaC24H23F2NO4
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Name4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(C=Cc3ccc(F)c(F)c3)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C24H23F2NO4/c1-24(2,29)15-31-21-9-7-18(14-22(21)30-3)27-11-10-17(13-23(27)28)5-4-16-6-8-19(25)20(26)12-16/h4-14,29H,15H2,1-3H3
InChIKeyITNNUUFRYFJGBG-UHFFFAOYSA-N
XLogP4.44
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
4-[2-(4-chlorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 67135622
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(E)-2-(4-iodophenyl)ethenyl]pyrimidin-2-one
CID 89034043
4-[2-(3,4-difluorophenyl)ethynyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyridin-2-one
CID 46911706
4-[(4-chlorophenyl)sulfanylmethyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580291
4-(4-chlorophenyl)-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 70644767
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
CID 46911203
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[2-(3-prop-1-enylphenyl)ethynyl]pyrimidin-2-one
CID 91302294
4-[(4-chlorophenyl)methylamino]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926808
1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 58580266
1-chloro-4-methylbenzene;1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one
CID 143744929
5-(3-fluorophenyl)-2-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridazin-3-one
CID 70644662

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (CID 58580250) is 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is COc1cc(-n2ccc(C=Cc3ccc(F)c(F)c3)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The InChIKey is ITNNUUFRYFJGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO4/c1-24(2,29)15-31-21-9-7-18(14-22(21)30-3)27-11-10-17(13-23(27)28)5-4-16-6-8-19(25)20(26)12-16/h4-14,29H,15H2,1-3H3.
What are the key properties of 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one has a molecular weight of 427.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 58580250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).