6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one

C21H20ClNO2 — CID 54679808

IUPAC6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one
SMILESCC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H20ClNO2/c1-21(2,3)19-17(22)18(24)16(14-10-6-4-7-11-14)20(25)23(19)15-12-8-5-9-13-15/h4-13,24H,1-3H3
InChIKeySXCMNKSDLJDFTB-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.16
Rot. Bonds2

About 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one

6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one (PubChem CID 54679808) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one
PubChem CID54679808
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one
SMILESCC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H20ClNO2/c1-21(2,3)19-17(22)18(24)16(14-10-6-4-7-11-14)20(25)23(19)15-12-8-5-9-13-15/h4-13,24H,1-3H3
InChIKeySXCMNKSDLJDFTB-UHFFFAOYSA-N
XLogP5.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one?
The IUPAC name of 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one (CID 54679808) is 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one.
What is the SMILES notation for 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one?
The canonical SMILES for 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one is CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one?
The InChIKey is SXCMNKSDLJDFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-21(2,3)19-17(22)18(24)16(14-10-6-4-7-11-14)20(25)23(19)15-12-8-5-9-13-15/h4-13,24H,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one?
6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one has a molecular weight of 353.85 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-4-hydroxy-1,3-diphenylpyridin-2-one is sourced from PubChem (CID 54679808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).