3-hydroxy-5-propylpyran-4-one

C8H10O3 — CID 171625722

IUPAC3-hydroxy-5-propylpyran-4-one
SMILESCCCc1cocc(O)c1=O
InChIInChI=1S/C8H10O3/c1-2-3-6-4-11-5-7(9)8(6)10/h4-5,9H,2-3H2,1H3
InChIKeyAVOOPMXESMXJKW-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.30
Rot. Bonds2

About 3-hydroxy-5-propylpyran-4-one

3-hydroxy-5-propylpyran-4-one (PubChem CID 171625722) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-hydroxy-5-propylpyran-4-one.

Molecular Properties

Compound Name3-hydroxy-5-propylpyran-4-one
PubChem CID171625722
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-5-propylpyran-4-one
SMILESCCCc1cocc(O)c1=O
InChIInChI=1S/C8H10O3/c1-2-3-6-4-11-5-7(9)8(6)10/h4-5,9H,2-3H2,1H3
InChIKeyAVOOPMXESMXJKW-UHFFFAOYSA-N
XLogP1.30
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propylfuran-3-one
CID 59527642
3-Ethyl-5-hydroxypyran-4-one
CID 59637395
3-Hydroxy-5-propan-2-ylpyran-4-one
CID 59798369
3-Hydroxy-5-pent-4-yn-2-ylpyran-4-one
CID 118187698
3-hydroxy-5-[(2S)-pent-4-yn-2-yl]pyran-4-one
CID 118187721
3-hydroxy-5-[(2R)-pent-4-yn-2-yl]pyran-4-one
CID 118187745
3-But-3-ynyl-5-hydroxypyran-4-one
CID 130455822
3-Hydroxy-5-(2-methylbutan-2-yl)pyran-4-one
CID 141053032
2,5-Diethyl-3-hydroxypyran-4-one
CID 141697843
Ethane;3-hydroxy-5-methylpyran-4-one
CID 142212070
Ethane;3-hydroxy-5-(2-methylbutan-2-yl)pyran-4-one
CID 142927883
3-Hydroxy-5-(3-methylbutyl)pyran-4-one
CID 143080052

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-propylpyran-4-one?
The IUPAC name of 3-hydroxy-5-propylpyran-4-one (CID 171625722) is 3-hydroxy-5-propylpyran-4-one.
What is the SMILES notation for 3-hydroxy-5-propylpyran-4-one?
The canonical SMILES for 3-hydroxy-5-propylpyran-4-one is CCCc1cocc(O)c1=O.
What is the InChIKey of 3-hydroxy-5-propylpyran-4-one?
The InChIKey is AVOOPMXESMXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-6-4-11-5-7(9)8(6)10/h4-5,9H,2-3H2,1H3.
What are the key properties of 3-hydroxy-5-propylpyran-4-one?
3-hydroxy-5-propylpyran-4-one has a molecular weight of 154.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-propylpyran-4-one is sourced from PubChem (CID 171625722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).