5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one

C16H19NO3 — CID 144545623

IUPAC5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19NO3/c1-5-12-14(17-16(19)10(3)15(12)18)13-7-6-11(20-4)8-9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19)
InChIKeyVAAYTBFAUPGNLL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.94
Rot. Bonds3

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

5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one (PubChem CID 144545623) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one
PubChem CID144545623
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19NO3/c1-5-12-14(17-16(19)10(3)15(12)18)13-7-6-11(20-4)8-9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19)
InChIKeyVAAYTBFAUPGNLL-UHFFFAOYSA-N
XLogP2.94
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one (CID 144545623) is 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one is CCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is VAAYTBFAUPGNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-12-14(17-16(19)10(3)15(12)18)13-7-6-11(20-4)8-9(13)2/h6-8H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one?
5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 144545623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).