1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one

C22H23NO2 — CID 54693709

IUPAC1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23NO2/c1-2-3-14-19-21(24)15-20(18-12-8-5-9-13-18)23(22(19)25)16-17-10-6-4-7-11-17/h4-13,15,24H,2-3,14,16H2,1H3
InChIKeyOXDUOMURSRUESK-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.61
Rot. Bonds6

About 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one

1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one (PubChem CID 54693709) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one
PubChem CID54693709
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one
SMILESCCCCc1c(O)cc(-c2ccccc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H23NO2/c1-2-3-14-19-21(24)15-20(18-12-8-5-9-13-18)23(22(19)25)16-17-10-6-4-7-11-17/h4-13,15,24H,2-3,14,16H2,1H3
InChIKeyOXDUOMURSRUESK-UHFFFAOYSA-N
XLogP4.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one?
The IUPAC name of 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one (CID 54693709) is 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one is CCCCc1c(O)cc(-c2ccccc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one?
The InChIKey is OXDUOMURSRUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-3-14-19-21(24)15-20(18-12-8-5-9-13-18)23(22(19)25)16-17-10-6-4-7-11-17/h4-13,15,24H,2-3,14,16H2,1H3.
What are the key properties of 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one?
1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butyl-4-hydroxy-6-phenylpyridin-2-one is sourced from PubChem (CID 54693709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).