5-thiophen-2-yl-3H-2-benzofuran-1-one

C12H8O2S — CID 57394386

IUPAC5-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3cccs3)ccc21
InChIInChI=1S/C12H8O2S/c13-12-10-4-3-8(6-9(10)7-14-12)11-2-1-5-15-11/h1-6H,7H2
InChIKeyCOIZBURRYXTILO-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.09
Rot. Bonds1

About 5-thiophen-2-yl-3H-2-benzofuran-1-one

5-thiophen-2-yl-3H-2-benzofuran-1-one (PubChem CID 57394386) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-thiophen-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-thiophen-2-yl-3H-2-benzofuran-1-one
PubChem CID57394386
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Name5-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3cccs3)ccc21
InChIInChI=1S/C12H8O2S/c13-12-10-4-3-8(6-9(10)7-14-12)11-2-1-5-15-11/h1-6H,7H2
InChIKeyCOIZBURRYXTILO-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 5-thiophen-2-yl-3H-2-benzofuran-1-one (CID 57394386) is 5-thiophen-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-thiophen-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-thiophen-2-yl-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3cccs3)ccc21.
What is the InChIKey of 5-thiophen-2-yl-3H-2-benzofuran-1-one?
The InChIKey is COIZBURRYXTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-12-10-4-3-8(6-9(10)7-14-12)11-2-1-5-15-11/h1-6H,7H2.
What are the key properties of 5-thiophen-2-yl-3H-2-benzofuran-1-one?
5-thiophen-2-yl-3H-2-benzofuran-1-one has a molecular weight of 216.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 57394386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).