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

C5H6O3 — CID 19877455

IUPAC3-hydroxy-4-methyl-3H-furan-2-one
SMILESCC1=COC(=O)C1O
InChIInChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h2,4,6H,1H3
InChIKeyMDFNPPYWVLTEOS-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.19
Rot. Bonds

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

3-hydroxy-4-methyl-3H-furan-2-one (PubChem CID 19877455) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-3H-furan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-3H-furan-2-one
PubChem CID19877455
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name3-hydroxy-4-methyl-3H-furan-2-one
SMILESCC1=COC(=O)C1O
InChIInChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h2,4,6H,1H3
InChIKeyMDFNPPYWVLTEOS-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 3-hydroxy-4-methyl-3H-furan-2-one?
The IUPAC name of 3-hydroxy-4-methyl-3H-furan-2-one (CID 19877455) is 3-hydroxy-4-methyl-3H-furan-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-3H-furan-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-3H-furan-2-one is CC1=COC(=O)C1O.
What is the InChIKey of 3-hydroxy-4-methyl-3H-furan-2-one?
The InChIKey is MDFNPPYWVLTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-2-8-5(7)4(3)6/h2,4,6H,1H3.
What are the key properties of 3-hydroxy-4-methyl-3H-furan-2-one?
3-hydroxy-4-methyl-3H-furan-2-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 3-hydroxy-4-methyl-3H-furan-2-one is sourced from PubChem (CID 19877455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).