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

C5H6O3 — CID 54692152

IUPAC3-hydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3
InChIKeyJGAAAWQBYJNOIW-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.37
Rot. Bonds

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

3-hydroxy-2-methyl-2H-furan-5-one (PubChem CID 54692152) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2H-furan-5-one
PubChem CID54692152
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name3-hydroxy-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1O
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3
InChIKeyJGAAAWQBYJNOIW-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxyfuran-2(5H)-one
CID 54683813
5-(1-Hydroxyethyl)-2(5H)-furanone
CID 12374454
(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
CID 10986239
(S)-(-)-5-Hydroxymethyl-2(5H)-furanone
CID 10176122
3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
CID 12435924
2(5H)-Furanone, 3,4-dihydroxy-5-methyl-
CID 54676244
5-(hydroxymethyl)-2(5H)-furanone
CID 144863
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-
CID 54698897
(R)-5-methyl-tetronate
CID 162422389
[s,(+)]-4-Hydroxy-5-methyl-2(5H)-furanone
CID 54711402
3-ethoxy-2-methyl-2H-furan-5-one
CID 12427224
(2S)-2-(hydroxymethyl)-3-methyl-2H-furan-5-one
CID 10606756

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2-methyl-2H-furan-5-one (CID 54692152) is 3-hydroxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2-methyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2-methyl-2H-furan-5-one is CC1OC(=O)C=C1O.
What is the InChIKey of 3-hydroxy-2-methyl-2H-furan-5-one?
The InChIKey is JGAAAWQBYJNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3.
What are the key properties of 3-hydroxy-2-methyl-2H-furan-5-one?
3-hydroxy-2-methyl-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 54692152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).