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

C5H6O3 — CID 5279300

IUPAC2-hydroxy-4-methyl-2H-furan-5-one
SMILESCC1=CC(O)OC1=O
InChIInChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3
InChIKeyHQIZYPQNJWENRT-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.19
Rot. Bonds

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

2-hydroxy-4-methyl-2H-furan-5-one (PubChem CID 5279300) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2H-furan-5-one
PubChem CID5279300
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2-hydroxy-4-methyl-2H-furan-5-one
SMILESCC1=CC(O)OC1=O
InChIInChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3
InChIKeyHQIZYPQNJWENRT-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-methyl-2H-furan-5-one (CID 5279300) is 2-hydroxy-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-2H-furan-5-one is CC1=CC(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-methyl-2H-furan-5-one?
The InChIKey is HQIZYPQNJWENRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3.
What are the key properties of 2-hydroxy-4-methyl-2H-furan-5-one?
2-hydroxy-4-methyl-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2H-furan-5-one is sourced from PubChem (CID 5279300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).