5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one

C25H21NO2 — CID 54686582

IUPAC5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESCCc1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21NO2/c1-2-21-23(19-14-8-4-9-15-19)26(20-16-10-5-11-17-20)25(28)22(24(21)27)18-12-6-3-7-13-18/h3-17,27H,2H2,1H3
InChIKeyJHUWHRCMCKFQPV-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.44
Rot. Bonds4

About 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one

5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one (PubChem CID 54686582) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
PubChem CID54686582
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESCCc1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21NO2/c1-2-21-23(19-14-8-4-9-15-19)26(20-16-10-5-11-17-20)25(28)22(24(21)27)18-12-6-3-7-13-18/h3-17,27H,2H2,1H3
InChIKeyJHUWHRCMCKFQPV-UHFFFAOYSA-N
XLogP5.44
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one (CID 54686582) is 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one is CCc1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The InChIKey is JHUWHRCMCKFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-2-21-23(19-14-8-4-9-15-19)26(20-16-10-5-11-17-20)25(28)22(24(21)27)18-12-6-3-7-13-18/h3-17,27H,2H2,1H3.
What are the key properties of 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one is sourced from PubChem (CID 54686582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).