5-hydroxy-5-(hydroxymethyl)furan-2-one

C5H6O4 — CID 13308656

IUPAC5-hydroxy-5-(hydroxymethyl)furan-2-one
SMILESO=C1C=CC(O)(CO)O1
InChIInChI=1S/C5H6O4/c6-3-5(8)2-1-4(7)9-5/h1-2,6,8H,3H2
InChIKeyOKHURISQISYXCX-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.22
Rot. Bonds1

About 5-hydroxy-5-(hydroxymethyl)furan-2-one

5-hydroxy-5-(hydroxymethyl)furan-2-one (PubChem CID 13308656) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 5-hydroxy-5-(hydroxymethyl)furan-2-one.

Molecular Properties

Compound Name5-hydroxy-5-(hydroxymethyl)furan-2-one
PubChem CID13308656
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name5-hydroxy-5-(hydroxymethyl)furan-2-one
SMILESO=C1C=CC(O)(CO)O1
InChIInChI=1S/C5H6O4/c6-3-5(8)2-1-4(7)9-5/h1-2,6,8H,3H2
InChIKeyOKHURISQISYXCX-UHFFFAOYSA-N
XLogP-1.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-5-(hydroxymethyl)furan-2-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 5-hydroxy-5-(hydroxymethyl)furan-2-one?
The IUPAC name of 5-hydroxy-5-(hydroxymethyl)furan-2-one (CID 13308656) is 5-hydroxy-5-(hydroxymethyl)furan-2-one.
What is the SMILES notation for 5-hydroxy-5-(hydroxymethyl)furan-2-one?
The canonical SMILES for 5-hydroxy-5-(hydroxymethyl)furan-2-one is O=C1C=CC(O)(CO)O1.
What is the InChIKey of 5-hydroxy-5-(hydroxymethyl)furan-2-one?
The InChIKey is OKHURISQISYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-3-5(8)2-1-4(7)9-5/h1-2,6,8H,3H2.
What are the key properties of 5-hydroxy-5-(hydroxymethyl)furan-2-one?
5-hydroxy-5-(hydroxymethyl)furan-2-one has a molecular weight of 130.10 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(hydroxymethyl)furan-2-one is sourced from PubChem (CID 13308656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).