3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one

C14H10O3S — CID 2732240

IUPAC3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one
SMILESO=C(CC1OC(=O)c2ccccc21)c1cccs1
InChIInChI=1S/C14H10O3S/c15-11(13-6-3-7-18-13)8-12-9-4-1-2-5-10(9)14(16)17-12/h1-7,12H,8H2
InChIKeyOZRMXRUQEGDLEU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.23
Rot. Bonds3

About 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one

3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one (PubChem CID 2732240) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one
PubChem CID2732240
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one
SMILESO=C(CC1OC(=O)c2ccccc21)c1cccs1
InChIInChI=1S/C14H10O3S/c15-11(13-6-3-7-18-13)8-12-9-4-1-2-5-10(9)14(16)17-12/h1-7,12H,8H2
InChIKeyOZRMXRUQEGDLEU-UHFFFAOYSA-N
XLogP3.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one (CID 2732240) is 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one is O=C(CC1OC(=O)c2ccccc21)c1cccs1.
What is the InChIKey of 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one?
The InChIKey is OZRMXRUQEGDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c15-11(13-6-3-7-18-13)8-12-9-4-1-2-5-10(9)14(16)17-12/h1-7,12H,8H2.
What are the key properties of 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one?
3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one has a molecular weight of 258.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-thiophen-2-ylethyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 2732240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).