3-methoxy-2,4-dimethyl-2H-furan-5-one

C7H10O3 — CID 12814971

IUPAC3-methoxy-2,4-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)OC1C
InChIInChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3
InChIKeyMJMOVENCVKUZOG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About 3-methoxy-2,4-dimethyl-2H-furan-5-one

3-methoxy-2,4-dimethyl-2H-furan-5-one (PubChem CID 12814971) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-2H-furan-5-one
PubChem CID12814971
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-methoxy-2,4-dimethyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)OC1C
InChIInChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3
InChIKeyMJMOVENCVKUZOG-UHFFFAOYSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2,4-dimethyl-2H-furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Sotolone
CID 62835
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
CID 12799212
3,4,5-trimethylfuran-2(5H)-one
CID 9898826
3-Ethyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54690859
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (+)-
CID 5325921
3-Fluoro-4-methoxy-5,5-dimethylfuran-2(5H)-one
CID 15488152
3-methoxy-4,5-dimethyl-2(5H)-furanone
CID 15046850
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-
CID 54698897
InChI=1/C8H11FO3/c1-4-11-6-5(9)7(10)12-8(6,2)3/h4H2,1-3H
CID 15488153
3-Fluoro-5,5-dimethyl-4-propoxyfuran-2-one
CID 15488154
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
3-ethyl-4-hydroxyfuran-2(5H)-one
CID 67932016

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of 3-methoxy-2,4-dimethyl-2H-furan-5-one (CID 12814971) is 3-methoxy-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2,4-dimethyl-2H-furan-5-one is COC1=C(C)C(=O)OC1C.
What is the InChIKey of 3-methoxy-2,4-dimethyl-2H-furan-5-one?
The InChIKey is MJMOVENCVKUZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-6(9-3)5(2)10-7(4)8/h5H,1-3H3.
What are the key properties of 3-methoxy-2,4-dimethyl-2H-furan-5-one?
3-methoxy-2,4-dimethyl-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 12814971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).