3-hydroxy-4-methyl-2H-furan-5-one

C5H6O3 — CID 54711386

IUPAC3-hydroxy-4-methyl-2H-furan-5-one
SMILESCC1=C(O)COC1=O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-8-5(3)7/h6H,2H2,1H3
InChIKeyAFKQLNRCQPXHOF-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.38
Rot. Bonds

About 3-hydroxy-4-methyl-2H-furan-5-one

3-hydroxy-4-methyl-2H-furan-5-one (PubChem CID 54711386) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2H-furan-5-one
PubChem CID54711386
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name3-hydroxy-4-methyl-2H-furan-5-one
SMILESCC1=C(O)COC1=O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-8-5(3)7/h6H,2H2,1H3
InChIKeyAFKQLNRCQPXHOF-UHFFFAOYSA-N
XLogP0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-methyl-2H-furan-5-one (CID 54711386) is 3-hydroxy-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-methyl-2H-furan-5-one is CC1=C(O)COC1=O.
What is the InChIKey of 3-hydroxy-4-methyl-2H-furan-5-one?
The InChIKey is AFKQLNRCQPXHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-4(6)2-8-5(3)7/h6H,2H2,1H3.
What are the key properties of 3-hydroxy-4-methyl-2H-furan-5-one?
3-hydroxy-4-methyl-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2H-furan-5-one is sourced from PubChem (CID 54711386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).