1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one

C18H23NO2 — CID 82519817

IUPAC1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESCCC(C)n1c(-c2cc(C)ccc2C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO2/c1-5-14(4)19-17(9-8-15(11-20)18(19)21)16-10-12(2)6-7-13(16)3/h6-10,14,20H,5,11H2,1-4H3
InChIKeySUPICHDWYKIUPL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds4

About 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one

1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one (PubChem CID 82519817) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
PubChem CID82519817
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESCCC(C)n1c(-c2cc(C)ccc2C)ccc(CO)c1=O
InChIInChI=1S/C18H23NO2/c1-5-14(4)19-17(9-8-15(11-20)18(19)21)16-10-12(2)6-7-13(16)3/h6-10,14,20H,5,11H2,1-4H3
InChIKeySUPICHDWYKIUPL-UHFFFAOYSA-N
XLogP3.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
CID 22146242
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
1-butan-2-yl-3-(2,5-dimethylphenyl)pyrazole-4-carbaldehyde
CID 61271475
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one (CID 82519817) is 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one is CCC(C)n1c(-c2cc(C)ccc2C)ccc(CO)c1=O.
What is the InChIKey of 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
The InChIKey is SUPICHDWYKIUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-14(4)19-17(9-8-15(11-20)18(19)21)16-10-12(2)6-7-13(16)3/h6-10,14,20H,5,11H2,1-4H3.
What are the key properties of 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one?
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 82519817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).