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

C11H8Cl2O2 — CID 11746824

IUPAC3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C11H8Cl2O2/c1-6-2-4-7(5-3-6)10-8(12)9(13)11(14)15-10/h2-5,10H,1H3
InChIKeyFNVICNXKYOABMK-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.28
Rot. Bonds1

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

3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one (PubChem CID 11746824) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one
PubChem CID11746824
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one
SMILESCc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1
InChIInChI=1S/C11H8Cl2O2/c1-6-2-4-7(5-3-6)10-8(12)9(13)11(14)15-10/h2-5,10H,1H3
InChIKeyFNVICNXKYOABMK-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one (CID 11746824) is 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one is Cc1ccc(C2OC(=O)C(Cl)=C2Cl)cc1.
What is the InChIKey of 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is FNVICNXKYOABMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2/c1-6-2-4-7(5-3-6)10-8(12)9(13)11(14)15-10/h2-5,10H,1H3.
What are the key properties of 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one?
3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one has a molecular weight of 243.09 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 11746824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).