2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

C10H12O4 — CID 11063341

IUPAC2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=CCC(C2=CC(=O)OC2O)OC1
InChIInChI=1S/C10H12O4/c1-6-2-3-8(13-5-6)7-4-9(11)14-10(7)12/h2,4,8,10,12H,3,5H2,1H3
InChIKeyFLNHFWSNSDPSEK-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.52
Rot. Bonds1

About 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (PubChem CID 11063341) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
PubChem CID11063341
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESCC1=CCC(C2=CC(=O)OC2O)OC1
InChIInChI=1S/C10H12O4/c1-6-2-3-8(13-5-6)7-4-9(11)14-10(7)12/h2,4,8,10,12H,3,5H2,1H3
InChIKeyFLNHFWSNSDPSEK-UHFFFAOYSA-N
XLogP0.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-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-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (CID 11063341) is 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is CC1=CCC(C2=CC(=O)OC2O)OC1.
What is the InChIKey of 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The InChIKey is FLNHFWSNSDPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-2-3-8(13-5-6)7-4-9(11)14-10(7)12/h2,4,8,10,12H,3,5H2,1H3.
What are the key properties of 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one has a molecular weight of 196.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is sourced from PubChem (CID 11063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).