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

C8H12O3 — CID 139590822

IUPAC2-hydroxy-4-methyl-5-propylfuran-3-one
SMILESCCCC1=C(C)C(=O)C(O)O1
InChIInChI=1S/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h8,10H,3-4H2,1-2H3
InChIKeyAJSISDPAZJSHTD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.98
Rot. Bonds2

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

2-hydroxy-4-methyl-5-propylfuran-3-one (PubChem CID 139590822) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-propylfuran-3-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-propylfuran-3-one
PubChem CID139590822
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-hydroxy-4-methyl-5-propylfuran-3-one
SMILESCCCC1=C(C)C(=O)C(O)O1
InChIInChI=1S/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h8,10H,3-4H2,1-2H3
InChIKeyAJSISDPAZJSHTD-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nemanifuranone C
CID 139590823
(2S)-2-hydroxy-2,4-dimethyl-5-propan-2-ylfuran-3-one
CID 162995369
2-Hydroxy-4-methyl-5-propyluran-3-one
CID 169491901
2-Hydroxy-2,4-dimethyl-5-propyl-3(2H)-furanone
CID 130030893
2-Hydroxy-2,4-dimethyl-5-propan-2-ylfuran-3-one
CID 130030957
(2R)-2-hydroxy-5-[(2R)-2-hydroxypropyl]-4-methylfuran-3-one
CID 162815166
(2R)-2-hydroxy-4-methyl-5-propylfuran-3-one
CID 162822250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-propylfuran-3-one?
The IUPAC name of 2-hydroxy-4-methyl-5-propylfuran-3-one (CID 139590822) is 2-hydroxy-4-methyl-5-propylfuran-3-one.
What is the SMILES notation for 2-hydroxy-4-methyl-5-propylfuran-3-one?
The canonical SMILES for 2-hydroxy-4-methyl-5-propylfuran-3-one is CCCC1=C(C)C(=O)C(O)O1.
What is the InChIKey of 2-hydroxy-4-methyl-5-propylfuran-3-one?
The InChIKey is AJSISDPAZJSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h8,10H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-5-propylfuran-3-one?
2-hydroxy-4-methyl-5-propylfuran-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-propylfuran-3-one is sourced from PubChem (CID 139590822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).