2-ethyl-3-hydroxy-5-methylpyran-4-one

C8H10O3 — CID 14753407

IUPAC2-ethyl-3-hydroxy-5-methylpyran-4-one
SMILESCCc1occ(C)c(=O)c1O
InChIInChI=1S/C8H10O3/c1-3-6-8(10)7(9)5(2)4-11-6/h4,10H,3H2,1-2H3
InChIKeyNOUBTLOFJIZJED-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.22
Rot. Bonds1

About 2-ethyl-3-hydroxy-5-methylpyran-4-one

2-ethyl-3-hydroxy-5-methylpyran-4-one (PubChem CID 14753407) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-5-methylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-5-methylpyran-4-one
PubChem CID14753407
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-ethyl-3-hydroxy-5-methylpyran-4-one
SMILESCCc1occ(C)c(=O)c1O
InChIInChI=1S/C8H10O3/c1-3-6-8(10)7(9)5(2)4-11-6/h4,10H,3H2,1-2H3
InChIKeyNOUBTLOFJIZJED-UHFFFAOYSA-N
XLogP1.22
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-hydroxy-5-methylpyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-5-methylpyran-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-5-methylpyran-4-one (CID 14753407) is 2-ethyl-3-hydroxy-5-methylpyran-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-5-methylpyran-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-5-methylpyran-4-one is CCc1occ(C)c(=O)c1O.
What is the InChIKey of 2-ethyl-3-hydroxy-5-methylpyran-4-one?
The InChIKey is NOUBTLOFJIZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-6-8(10)7(9)5(2)4-11-6/h4,10H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-5-methylpyran-4-one?
2-ethyl-3-hydroxy-5-methylpyran-4-one has a molecular weight of 154.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-5-methylpyran-4-one is sourced from PubChem (CID 14753407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).