4-hydroxy-6-(2-oxopropyl)pyran-2-one

C8H8O4 — CID 54688211

IUPAC4-hydroxy-6-(2-oxopropyl)pyran-2-one
SMILESCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C8H8O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-4,10H,2H2,1H3
InChIKeySTVPTNMFKNDFLX-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.48
Rot. Bonds2

About 4-hydroxy-6-(2-oxopropyl)pyran-2-one

4-hydroxy-6-(2-oxopropyl)pyran-2-one (PubChem CID 54688211) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-6-(2-oxopropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-oxopropyl)pyran-2-one
PubChem CID54688211
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-hydroxy-6-(2-oxopropyl)pyran-2-one
SMILESCC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C8H8O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-4,10H,2H2,1H3
InChIKeySTVPTNMFKNDFLX-UHFFFAOYSA-N
XLogP0.48
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-oxopropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-oxopropyl)pyran-2-one (CID 54688211) is 4-hydroxy-6-(2-oxopropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-oxopropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-oxopropyl)pyran-2-one is CC(=O)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-oxopropyl)pyran-2-one?
The InChIKey is STVPTNMFKNDFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-4,10H,2H2,1H3.
What are the key properties of 4-hydroxy-6-(2-oxopropyl)pyran-2-one?
4-hydroxy-6-(2-oxopropyl)pyran-2-one has a molecular weight of 168.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-oxopropyl)pyran-2-one is sourced from PubChem (CID 54688211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).