3,4-dihydroxy-2-methyl-2H-furan-5-one

C5H6O4 — CID 54676244

IUPAC3,4-dihydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1O
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3
InChIKeyASEPVSZWYGTTAB-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.26
Rot. Bonds

About 3,4-dihydroxy-2-methyl-2H-furan-5-one

3,4-dihydroxy-2-methyl-2H-furan-5-one (PubChem CID 54676244) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3,4-dihydroxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-methyl-2H-furan-5-one
PubChem CID54676244
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name3,4-dihydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1O
InChIInChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3
InChIKeyASEPVSZWYGTTAB-UHFFFAOYSA-N
XLogP0.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydroxy-2-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 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2-methyl-2H-furan-5-one (CID 54676244) is 3,4-dihydroxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2-methyl-2H-furan-5-one is CC1OC(=O)C(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-2-methyl-2H-furan-5-one?
The InChIKey is ASEPVSZWYGTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-2-3(6)4(7)5(8)9-2/h2,6-7H,1H3.
What are the key properties of 3,4-dihydroxy-2-methyl-2H-furan-5-one?
3,4-dihydroxy-2-methyl-2H-furan-5-one has a molecular weight of 130.10 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 54676244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).