4-hydroxy-6-propylpyran-2-one

C8H10O3 — CID 54686806

IUPAC4-hydroxy-6-propylpyran-2-one
SMILESCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O3/c1-2-3-7-4-6(9)5-8(10)11-7/h4-5,9H,2-3H2,1H3
InChIKeyARLWUMFTZMAEDP-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.30
Rot. Bonds2

About 4-hydroxy-6-propylpyran-2-one

4-hydroxy-6-propylpyran-2-one (PubChem CID 54686806) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-hydroxy-6-propylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-propylpyran-2-one
PubChem CID54686806
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-hydroxy-6-propylpyran-2-one
SMILESCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O3/c1-2-3-7-4-6(9)5-8(10)11-7/h4-5,9H,2-3H2,1H3
InChIKeyARLWUMFTZMAEDP-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 ≤ 500154.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-propylpyran-2-one?
The IUPAC name of 4-hydroxy-6-propylpyran-2-one (CID 54686806) is 4-hydroxy-6-propylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-propylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-propylpyran-2-one is CCCc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-propylpyran-2-one?
The InChIKey is ARLWUMFTZMAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-4-6(9)5-8(10)11-7/h4-5,9H,2-3H2,1H3.
What are the key properties of 4-hydroxy-6-propylpyran-2-one?
4-hydroxy-6-propylpyran-2-one has a molecular weight of 154.16 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 4-hydroxy-6-propylpyran-2-one is sourced from PubChem (CID 54686806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).