5-hydroxy-4-(hydroxymethyl)pyran-2-one

C6H6O4 — CID 24864462

IUPAC5-hydroxy-4-(hydroxymethyl)pyran-2-one
SMILESO=c1cc(CO)c(O)co1
InChIInChI=1S/C6H6O4/c7-2-4-1-6(9)10-3-5(4)8/h1,3,7-8H,2H2
InChIKeyYHVOEGJCPPEQKG-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.16
Rot. Bonds1

About 5-hydroxy-4-(hydroxymethyl)pyran-2-one

5-hydroxy-4-(hydroxymethyl)pyran-2-one (PubChem CID 24864462) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 5-hydroxy-4-(hydroxymethyl)pyran-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(hydroxymethyl)pyran-2-one
PubChem CID24864462
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name5-hydroxy-4-(hydroxymethyl)pyran-2-one
SMILESO=c1cc(CO)c(O)co1
InChIInChI=1S/C6H6O4/c7-2-4-1-6(9)10-3-5(4)8/h1,3,7-8H,2H2
InChIKeyYHVOEGJCPPEQKG-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-4-(hydroxymethyl)pyran-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-4-(hydroxymethyl)pyran-2-one?
The IUPAC name of 5-hydroxy-4-(hydroxymethyl)pyran-2-one (CID 24864462) is 5-hydroxy-4-(hydroxymethyl)pyran-2-one.
What is the SMILES notation for 5-hydroxy-4-(hydroxymethyl)pyran-2-one?
The canonical SMILES for 5-hydroxy-4-(hydroxymethyl)pyran-2-one is O=c1cc(CO)c(O)co1.
What is the InChIKey of 5-hydroxy-4-(hydroxymethyl)pyran-2-one?
The InChIKey is YHVOEGJCPPEQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-2-4-1-6(9)10-3-5(4)8/h1,3,7-8H,2H2.
What are the key properties of 5-hydroxy-4-(hydroxymethyl)pyran-2-one?
5-hydroxy-4-(hydroxymethyl)pyran-2-one has a molecular weight of 142.11 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(hydroxymethyl)pyran-2-one is sourced from PubChem (CID 24864462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).