1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one

C20H18ClNO2 — CID 54677758

IUPAC1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-13(2)17-12-18(23)19(14-6-4-3-5-7-14)20(24)22(17)16-10-8-15(21)9-11-16/h3-13,23H,1-2H3
InChIKeyMGROXOQFKIDJDU-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one

1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one (PubChem CID 54677758) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
PubChem CID54677758
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-13(2)17-12-18(23)19(14-6-4-3-5-7-14)20(24)22(17)16-10-8-15(21)9-11-16/h3-13,23H,1-2H3
InChIKeyMGROXOQFKIDJDU-UHFFFAOYSA-N
XLogP4.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one (CID 54677758) is 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one is CC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The InChIKey is MGROXOQFKIDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-13(2)17-12-18(23)19(14-6-4-3-5-7-14)20(24)22(17)16-10-8-15(21)9-11-16/h3-13,23H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one has a molecular weight of 339.82 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54677758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).