3-ethyl-3-hydroxy-2H-pyran-4-one

C7H10O3 — CID 57069529

IUPAC3-ethyl-3-hydroxy-2H-pyran-4-one
SMILESCCC1(O)COC=CC1=O
InChIInChI=1S/C7H10O3/c1-2-7(9)5-10-4-3-6(7)8/h3-4,9H,2,5H2,1H3
InChIKeyDEORMKAYTICFTQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 3-ethyl-3-hydroxy-2H-pyran-4-one

3-ethyl-3-hydroxy-2H-pyran-4-one (PubChem CID 57069529) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2H-pyran-4-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2H-pyran-4-one
PubChem CID57069529
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-ethyl-3-hydroxy-2H-pyran-4-one
SMILESCCC1(O)COC=CC1=O
InChIInChI=1S/C7H10O3/c1-2-7(9)5-10-4-3-6(7)8/h3-4,9H,2,5H2,1H3
InChIKeyDEORMKAYTICFTQ-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3-hydroxy-2H-pyran-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 3-ethyl-3-hydroxy-2H-pyran-4-one?
The IUPAC name of 3-ethyl-3-hydroxy-2H-pyran-4-one (CID 57069529) is 3-ethyl-3-hydroxy-2H-pyran-4-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-2H-pyran-4-one?
The canonical SMILES for 3-ethyl-3-hydroxy-2H-pyran-4-one is CCC1(O)COC=CC1=O.
What is the InChIKey of 3-ethyl-3-hydroxy-2H-pyran-4-one?
The InChIKey is DEORMKAYTICFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(9)5-10-4-3-6(7)8/h3-4,9H,2,5H2,1H3.
What are the key properties of 3-ethyl-3-hydroxy-2H-pyran-4-one?
3-ethyl-3-hydroxy-2H-pyran-4-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2H-pyran-4-one is sourced from PubChem (CID 57069529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).