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

C6H8O3 — CID 15082539

IUPAC3-ethyl-4-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)C(=O)OC1
InChIInChI=1S/C6H8O3/c1-2-4-3-9-6(8)5(4)7/h7H,2-3H2,1H3
InChIKeyXGLAYVYTRTVSAY-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.77
Rot. Bonds1

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

3-ethyl-4-hydroxy-2H-furan-5-one (PubChem CID 15082539) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-2H-furan-5-one
PubChem CID15082539
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3-ethyl-4-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)C(=O)OC1
InChIInChI=1S/C6H8O3/c1-2-4-3-9-6(8)5(4)7/h7H,2-3H2,1H3
InChIKeyXGLAYVYTRTVSAY-UHFFFAOYSA-N
XLogP0.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-hydroxy-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-ethyl-4-hydroxy-2H-furan-5-one?
The IUPAC name of 3-ethyl-4-hydroxy-2H-furan-5-one (CID 15082539) is 3-ethyl-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-ethyl-4-hydroxy-2H-furan-5-one is CCC1=C(O)C(=O)OC1.
What is the InChIKey of 3-ethyl-4-hydroxy-2H-furan-5-one?
The InChIKey is XGLAYVYTRTVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-4-3-9-6(8)5(4)7/h7H,2-3H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-2H-furan-5-one?
3-ethyl-4-hydroxy-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 15082539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).