4-hydroxy-5-methyl-2-propylfuran-3-one

C8H12O3 — CID 12730529

IUPAC4-hydroxy-5-methyl-2-propylfuran-3-one
SMILESCCCC1OC(C)=C(O)C1=O
InChIInChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3
InChIKeyDBYQGTLFSQKPCA-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds2

About 4-hydroxy-5-methyl-2-propylfuran-3-one

4-hydroxy-5-methyl-2-propylfuran-3-one (PubChem CID 12730529) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-propylfuran-3-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-propylfuran-3-one
PubChem CID12730529
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-hydroxy-5-methyl-2-propylfuran-3-one
SMILESCCCC1OC(C)=C(O)C1=O
InChIInChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3
InChIKeyDBYQGTLFSQKPCA-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Furaneol
CID 19309
Homofuraneol
CID 33931
5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone
CID 93111
(2R)-(+)-furaneol
CID 23618097
2-butyl-4-hydroxy-5-methyl-3(2H)-furanone
CID 12730530
(2r)-2-Ethyl-4-Hydroxy-5-Methylfuran-3(2h)-One
CID 51417250
5-Butyl-2-methyl-4-oxofuran-3-olate
CID 25202471
(2S)-(-)-furaneol
CID 11007913
2-Cyclopenten-1-one, 2-ethoxy-3-methyl-
CID 106146
2-Ethyl-4-methoxy-5-methylfuran-3(2H)-one
CID 3020659
2-Ethyl-4-hydroxy-5-methylfuran-3-one;5-ethyl-4-hydroxy-2-methylfuran-3-one
CID 122522074
2-Methyl-4-oxo-5-propylfuran-3-olate
CID 25201144

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-propylfuran-3-one?
The IUPAC name of 4-hydroxy-5-methyl-2-propylfuran-3-one (CID 12730529) is 4-hydroxy-5-methyl-2-propylfuran-3-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-propylfuran-3-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-propylfuran-3-one is CCCC1OC(C)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-propylfuran-3-one?
The InChIKey is DBYQGTLFSQKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-4-6-8(10)7(9)5(2)11-6/h6,9H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-5-methyl-2-propylfuran-3-one?
4-hydroxy-5-methyl-2-propylfuran-3-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-propylfuran-3-one is sourced from PubChem (CID 12730529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).