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

C16H19NO2 — CID 82520319

IUPAC6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
SMILESCCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O
InChIInChI=1S/C16H19NO2/c1-4-17-15(8-6-13(10-18)16(17)19)14-7-5-11(2)9-12(14)3/h5-9,18H,4,10H2,1-3H3
InChIKeyXDWYSSWGIIGQIS-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.64
Rot. Bonds3

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

6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one (PubChem CID 82520319) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
PubChem CID82520319
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
SMILESCCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O
InChIInChI=1S/C16H19NO2/c1-4-17-15(8-6-13(10-18)16(17)19)14-7-5-11(2)9-12(14)3/h5-9,18H,4,10H2,1-3H3
InChIKeyXDWYSSWGIIGQIS-UHFFFAOYSA-N
XLogP2.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one (CID 82520319) is 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one is CCn1c(-c2ccc(C)cc2C)ccc(CO)c1=O.
What is the InChIKey of 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
The InChIKey is XDWYSSWGIIGQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-17-15(8-6-13(10-18)16(17)19)14-7-5-11(2)9-12(14)3/h5-9,18H,4,10H2,1-3H3.
What are the key properties of 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one?
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 82520319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).