4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one

C11H8Cl2O3 — CID 54707489

IUPAC4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one
SMILESCc1cc(Cl)c(C2=C(O)COC2=O)c(Cl)c1
InChIInChI=1S/C11H8Cl2O3/c1-5-2-6(12)9(7(13)3-5)10-8(14)4-16-11(10)15/h2-3,14H,4H2,1H3
InChIKeyDZXUCJIUJYDRHA-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.13
Rot. Bonds1

About 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one

4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one (PubChem CID 54707489) has the molecular formula C11H8Cl2O3 and a molecular weight of 259.09 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one
PubChem CID54707489
Molecular FormulaC11H8Cl2O3
Molecular Weight259.09 g/mol
Exact Mass257.99
IUPAC Name4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one
SMILESCc1cc(Cl)c(C2=C(O)COC2=O)c(Cl)c1
InChIInChI=1S/C11H8Cl2O3/c1-5-2-6(12)9(7(13)3-5)10-8(14)4-16-11(10)15/h2-3,14H,4H2,1H3
InChIKeyDZXUCJIUJYDRHA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one (CID 54707489) is 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one is Cc1cc(Cl)c(C2=C(O)COC2=O)c(Cl)c1.
What is the InChIKey of 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one?
The InChIKey is DZXUCJIUJYDRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O3/c1-5-2-6(12)9(7(13)3-5)10-8(14)4-16-11(10)15/h2-3,14H,4H2,1H3.
What are the key properties of 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one?
4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one has a molecular weight of 259.09 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).