6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one

C16H19NO4 — CID 144545472

IUPAC6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19NO4/c1-5-11-14(17-16(19)9(2)15(11)18)12-7-6-10(20-3)8-13(12)21-4/h6-8H,5H2,1-4H3,(H2,17,18,19)
InChIKeyALRBWWVIEOPCRP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.64
Rot. Bonds4

About 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one

6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one (PubChem CID 144545472) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
PubChem CID144545472
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19NO4/c1-5-11-14(17-16(19)9(2)15(11)18)12-7-6-10(20-3)8-13(12)21-4/h6-8H,5H2,1-4H3,(H2,17,18,19)
InChIKeyALRBWWVIEOPCRP-UHFFFAOYSA-N
XLogP2.64
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one (CID 144545472) is 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one is CCc1c(-c2ccc(OC)cc2OC)[nH]c(=O)c(C)c1O.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The InChIKey is ALRBWWVIEOPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-5-11-14(17-16(19)9(2)15(11)18)12-7-6-10(20-3)8-13(12)21-4/h6-8H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 144545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).