2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one

C11H8Cl2O3 — CID 2805284

IUPAC2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2O3/c1-5-9(14)11(15)16-10(5)8-6(12)3-2-4-7(8)13/h2-4,10,14H,1H3
InChIKeyCGAQCWBDRHQLJB-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one

2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one (PubChem CID 2805284) has the molecular formula C11H8Cl2O3 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one
PubChem CID2805284
Molecular FormulaC11H8Cl2O3
Molecular Weight259.09 g/mol
Exact Mass257.99
IUPAC Name2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2O3/c1-5-9(14)11(15)16-10(5)8-6(12)3-2-4-7(8)13/h2-4,10,14H,1H3
InChIKeyCGAQCWBDRHQLJB-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one (CID 2805284) is 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one is CC1=C(O)C(=O)OC1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one?
The InChIKey is CGAQCWBDRHQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O3/c1-5-9(14)11(15)16-10(5)8-6(12)3-2-4-7(8)13/h2-4,10,14H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one?
2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one has a molecular weight of 259.09 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-2H-furan-5-one is sourced from PubChem (CID 2805284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).