1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one

C22H23NO2 — CID 127040789

IUPAC1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one
SMILESCC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H23NO2/c1-16(2)13-19-14-20(24)21(18-11-7-4-8-12-18)22(25)23(19)15-17-9-5-3-6-10-17/h3-12,14,16,24H,13,15H2,1-2H3
InChIKeySTTATFMFIVCLQE-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.47
Rot. Bonds5

About 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one

1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one (PubChem CID 127040789) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one
PubChem CID127040789
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one
SMILESCC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H23NO2/c1-16(2)13-19-14-20(24)21(18-11-7-4-8-12-18)22(25)23(19)15-17-9-5-3-6-10-17/h3-12,14,16,24H,13,15H2,1-2H3
InChIKeySTTATFMFIVCLQE-UHFFFAOYSA-N
XLogP4.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54678659
6-(Cyclohexylmethyl)-4-Hydroxy-3-Phenylpyridin-2(1h)-One
CID 76284487
6-((4,4-dimethylcyclohexyl)methyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
CID 86580375
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
4-Hydroxy-6-methyl-1-(2-phenylethyl)pyridin-2(1H)-one
CID 54694339
San 52522
CID 135400981
3-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54677461
3-((4-ethylpiperazin-1-yl)(phenyl)methyl)-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2(1H)-one
CID 54703743
3-benzyl-1-cyclooctyl-4-hydroxy-2(1H)-pyridinone
CID 54687586
1-benzyl-3-hydroxy-4-(3-methylbutanoyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 4124709
3-benzyl-4-hydroxy-1-(4-methylbenzyl)-2(1H)-pyridinone
CID 54687404
1-benzyl-3-butyl-4-hydroxy-6-phenyl-2(1H)-pyridinone
CID 54693709

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one (CID 127040789) is 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one is CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one?
The InChIKey is STTATFMFIVCLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(2)13-19-14-20(24)21(18-11-7-4-8-12-18)22(25)23(19)15-17-9-5-3-6-10-17/h3-12,14,16,24H,13,15H2,1-2H3.
What are the key properties of 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one?
1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-6-(2-methylpropyl)-3-phenylpyridin-2-one is sourced from PubChem (CID 127040789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).