4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one

C11H10O3S — CID 11770039

IUPAC4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1-c1ccsc1
InChIInChI=1S/C11H10O3S/c1-7-5-9(13-2)10(11(12)14-7)8-3-4-15-6-8/h3-6H,1-2H3
InChIKeyUKQVZQLPOSICFP-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.69
Rot. Bonds2

About 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one

4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one (PubChem CID 11770039) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one
PubChem CID11770039
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1-c1ccsc1
InChIInChI=1S/C11H10O3S/c1-7-5-9(13-2)10(11(12)14-7)8-3-4-15-6-8/h3-6H,1-2H3
InChIKeyUKQVZQLPOSICFP-UHFFFAOYSA-N
XLogP2.69
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one?
The IUPAC name of 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one (CID 11770039) is 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one?
The canonical SMILES for 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one is COc1cc(C)oc(=O)c1-c1ccsc1.
What is the InChIKey of 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one?
The InChIKey is UKQVZQLPOSICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-7-5-9(13-2)10(11(12)14-7)8-3-4-15-6-8/h3-6H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one?
4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-thiophen-3-ylpyran-2-one is sourced from PubChem (CID 11770039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).