4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one

C15H16O4S — CID 54712967

IUPAC4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one
SMILESCCCc1ccsc1CC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H16O4S/c1-3-4-10-5-6-20-13(10)8-12(17)14-11(16)7-9(2)19-15(14)18/h5-7,16H,3-4,8H2,1-2H3
InChIKeyVTKWYDZRZNHJAP-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.09
Rot. Bonds5

About 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one

4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one (PubChem CID 54712967) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one
PubChem CID54712967
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one
SMILESCCCc1ccsc1CC(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C15H16O4S/c1-3-4-10-5-6-20-13(10)8-12(17)14-11(16)7-9(2)19-15(14)18/h5-7,16H,3-4,8H2,1-2H3
InChIKeyVTKWYDZRZNHJAP-UHFFFAOYSA-N
XLogP3.09
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one (CID 54712967) is 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one is CCCc1ccsc1CC(=O)c1c(O)cc(C)oc1=O.
What is the InChIKey of 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one?
The InChIKey is VTKWYDZRZNHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-3-4-10-5-6-20-13(10)8-12(17)14-11(16)7-9(2)19-15(14)18/h5-7,16H,3-4,8H2,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one?
4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one has a molecular weight of 292.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[2-(3-propylthiophen-2-yl)acetyl]pyran-2-one is sourced from PubChem (CID 54712967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).