4-(hydroxymethyl)-2H-furan-5-one

C5H6O3 — CID 10464328

IUPAC4-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1OCC=C1CO
InChIInChI=1S/C5H6O3/c6-3-4-1-2-8-5(4)7/h1,6H,2-3H2
InChIKeyXFPIXDKTZHFDLO-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.54
Rot. Bonds1

About 4-(hydroxymethyl)-2H-furan-5-one

4-(hydroxymethyl)-2H-furan-5-one (PubChem CID 10464328) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2H-furan-5-one
PubChem CID10464328
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name4-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1OCC=C1CO
InChIInChI=1S/C5H6O3/c6-3-4-1-2-8-5(4)7/h1,6H,2-3H2
InChIKeyXFPIXDKTZHFDLO-UHFFFAOYSA-N
XLogP-0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of 4-(hydroxymethyl)-2H-furan-5-one (CID 10464328) is 4-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for 4-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for 4-(hydroxymethyl)-2H-furan-5-one is O=C1OCC=C1CO.
What is the InChIKey of 4-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is XFPIXDKTZHFDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-4-1-2-8-5(4)7/h1,6H,2-3H2.
What are the key properties of 4-(hydroxymethyl)-2H-furan-5-one?
4-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 10464328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).