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

C5H6O3 — CID 12799211

IUPAC4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1
InChIInChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3
InChIKeyWXXOVRUZZHZUNY-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.38
Rot. Bonds

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

4-hydroxy-3-methyl-2H-furan-5-one (PubChem CID 12799211) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2H-furan-5-one
PubChem CID12799211
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1
InChIInChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3
InChIKeyWXXOVRUZZHZUNY-UHFFFAOYSA-N
XLogP0.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-methyl-2H-furan-5-one (CID 12799211) is 4-hydroxy-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-methyl-2H-furan-5-one is CC1=C(O)C(=O)OC1.
What is the InChIKey of 4-hydroxy-3-methyl-2H-furan-5-one?
The InChIKey is WXXOVRUZZHZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h6H,2H2,1H3.
What are the key properties of 4-hydroxy-3-methyl-2H-furan-5-one?
4-hydroxy-3-methyl-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2H-furan-5-one is sourced from PubChem (CID 12799211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).