4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C22H18F3NO2 — CID 54693111

IUPAC4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)18-10-4-9-17(14-18)15-26-13-12-20(27)19(21(26)28)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,27H,11,15H2/b8-5+
InChIKeyQJUJDVGQYAVMNR-VMPITWQZSA-N
MW385.39 g/mol
LogP4.88
Rot. Bonds5

About 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 54693111) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID54693111
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)18-10-4-9-17(14-18)15-26-13-12-20(27)19(21(26)28)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,27H,11,15H2/b8-5+
InChIKeyQJUJDVGQYAVMNR-VMPITWQZSA-N
XLogP4.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 54693111) is 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is QJUJDVGQYAVMNR-VMPITWQZSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)18-10-4-9-17(14-18)15-26-13-12-20(27)19(21(26)28)11-5-8-16-6-2-1-3-7-16/h1-10,12-14,27H,11,15H2/b8-5+.
What are the key properties of 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 385.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-phenylprop-2-enyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 54693111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).