1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one

C18H23NO2 — CID 82520240

IUPAC1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO2/c1-4-5-10-19-17(9-7-15(12-20)18(19)21)16-8-6-13(2)11-14(16)3/h6-9,11,20H,4-5,10,12H2,1-3H3
InChIKeyXASJJOZGQUFPLZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds5

About 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one

1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one (PubChem CID 82520240) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
PubChem CID82520240
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESCCCCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO2/c1-4-5-10-19-17(9-7-15(12-20)18(19)21)16-8-6-13(2)11-14(16)3/h6-9,11,20H,4-5,10,12H2,1-3H3
InChIKeyXASJJOZGQUFPLZ-UHFFFAOYSA-N
XLogP3.42
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
CID 82520331
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one (CID 82520240) is 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one is CCCCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O.
What is the InChIKey of 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The InChIKey is XASJJOZGQUFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-10-19-17(9-7-15(12-20)18(19)21)16-8-6-13(2)11-14(16)3/h6-9,11,20H,4-5,10,12H2,1-3H3.
What are the key properties of 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 82520240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).