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

C5H6O4 — CID 86175362

IUPAC4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1
InChIInChI=1S/C5H6O4/c1-8-3-2-9-5(7)4(3)6/h6H,2H2,1H3
InChIKeyDDMNWCOTWYIVDZ-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.04
Rot. Bonds1

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

4-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 86175362) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-2H-furan-5-one
PubChem CID86175362
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1
InChIInChI=1S/C5H6O4/c1-8-3-2-9-5(7)4(3)6/h6H,2H2,1H3
InChIKeyDDMNWCOTWYIVDZ-UHFFFAOYSA-N
XLogP-0.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3-methoxy-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 4-hydroxy-3-methoxy-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-methoxy-2H-furan-5-one (CID 86175362) is 4-hydroxy-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-methoxy-2H-furan-5-one is COC1=C(O)C(=O)OC1.
What is the InChIKey of 4-hydroxy-3-methoxy-2H-furan-5-one?
The InChIKey is DDMNWCOTWYIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-8-3-2-9-5(7)4(3)6/h6H,2H2,1H3.
What are the key properties of 4-hydroxy-3-methoxy-2H-furan-5-one?
4-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 130.10 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 86175362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).