3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione

C14H7ClO3S — CID 56838763

IUPAC3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione
SMILESO=C1OC(=O)C(c2ccccc2Cl)=C1c1cccs1
InChIInChI=1S/C14H7ClO3S/c15-9-5-2-1-4-8(9)11-12(10-6-3-7-19-10)14(17)18-13(11)16/h1-7H
InChIKeyZAPKGAVEBNHIGE-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.40
Rot. Bonds2

About 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione

3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione (PubChem CID 56838763) has the molecular formula C14H7ClO3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione
PubChem CID56838763
Molecular FormulaC14H7ClO3S
Molecular Weight290.73 g/mol
Exact Mass289.98
IUPAC Name3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione
SMILESO=C1OC(=O)C(c2ccccc2Cl)=C1c1cccs1
InChIInChI=1S/C14H7ClO3S/c15-9-5-2-1-4-8(9)11-12(10-6-3-7-19-10)14(17)18-13(11)16/h1-7H
InChIKeyZAPKGAVEBNHIGE-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione (CID 56838763) is 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione is O=C1OC(=O)C(c2ccccc2Cl)=C1c1cccs1.
What is the InChIKey of 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione?
The InChIKey is ZAPKGAVEBNHIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClO3S/c15-9-5-2-1-4-8(9)11-12(10-6-3-7-19-10)14(17)18-13(11)16/h1-7H.
What are the key properties of 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione?
3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione has a molecular weight of 290.73 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-thiophen-2-ylfuran-2,5-dione is sourced from PubChem (CID 56838763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).