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

C12H8O2S — CID 6425425

IUPAC3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2ccccc21
InChIInChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H
InChIKeyJXGGVKILPREQLK-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.01
Rot. Bonds1

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

3-thiophen-2-yl-3H-2-benzofuran-1-one (PubChem CID 6425425) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-thiophen-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-thiophen-2-yl-3H-2-benzofuran-1-one
PubChem CID6425425
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Name3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2ccccc21
InChIInChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H
InChIKeyJXGGVKILPREQLK-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 3-thiophen-2-yl-3H-2-benzofuran-1-one (CID 6425425) is 3-thiophen-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-thiophen-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-thiophen-2-yl-3H-2-benzofuran-1-one is O=C1OC(c2cccs2)c2ccccc21.
What is the InChIKey of 3-thiophen-2-yl-3H-2-benzofuran-1-one?
The InChIKey is JXGGVKILPREQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-12-9-5-2-1-4-8(9)11(14-12)10-6-3-7-15-10/h1-7,11H.
What are the key properties of 3-thiophen-2-yl-3H-2-benzofuran-1-one?
3-thiophen-2-yl-3H-2-benzofuran-1-one has a molecular weight of 216.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 6425425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).