4-methoxy-6-methylpyran-2-one

C7H8O3 — CID 12651

IUPAC4-methoxy-6-methylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1
InChIInChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
InChIKeyMTZAUZNQAMNFME-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.96
Rot. Bonds1

About 4-methoxy-6-methylpyran-2-one

4-methoxy-6-methylpyran-2-one (PubChem CID 12651) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-methoxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methylpyran-2-one
PubChem CID12651
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4-methoxy-6-methylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1
InChIInChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3
InChIKeyMTZAUZNQAMNFME-UHFFFAOYSA-N
XLogP0.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-6-methylpyran-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-methylpyran-2-one?
The IUPAC name of 4-methoxy-6-methylpyran-2-one (CID 12651) is 4-methoxy-6-methylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-methylpyran-2-one?
The canonical SMILES for 4-methoxy-6-methylpyran-2-one is COc1cc(C)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-methylpyran-2-one?
The InChIKey is MTZAUZNQAMNFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3.
What are the key properties of 4-methoxy-6-methylpyran-2-one?
4-methoxy-6-methylpyran-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylpyran-2-one is sourced from PubChem (CID 12651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).