5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one

C14H14O4S — CID 54703180

IUPAC5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
SMILESCCc1c(C)oc(=O)c(C(=O)Cc2cccs2)c1O
InChIInChI=1S/C14H14O4S/c1-3-10-8(2)18-14(17)12(13(10)16)11(15)7-9-5-4-6-19-9/h4-6,16H,3,7H2,1-2H3
InChIKeyHIEYLMXLFRKLHL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.70
Rot. Bonds4

About 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one

5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one (PubChem CID 54703180) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
PubChem CID54703180
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one
SMILESCCc1c(C)oc(=O)c(C(=O)Cc2cccs2)c1O
InChIInChI=1S/C14H14O4S/c1-3-10-8(2)18-14(17)12(13(10)16)11(15)7-9-5-4-6-19-9/h4-6,16H,3,7H2,1-2H3
InChIKeyHIEYLMXLFRKLHL-UHFFFAOYSA-N
XLogP2.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one (CID 54703180) is 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one is CCc1c(C)oc(=O)c(C(=O)Cc2cccs2)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
The InChIKey is HIEYLMXLFRKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-3-10-8(2)18-14(17)12(13(10)16)11(15)7-9-5-4-6-19-9/h4-6,16H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one?
5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one has a molecular weight of 278.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-methyl-3-(2-thiophen-2-ylacetyl)pyran-2-one is sourced from PubChem (CID 54703180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).