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

C12H8O3S — CID 13259263

IUPAC7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2cccc(O)c21
InChIInChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H
InChIKeyCLGIBOHWUJNNKL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds1

About 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one

7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one (PubChem CID 13259263) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one
PubChem CID13259263
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(c2cccs2)c2cccc(O)c21
InChIInChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H
InChIKeyCLGIBOHWUJNNKL-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The IUPAC name of 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one (CID 13259263) is 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one is O=C1OC(c2cccs2)c2cccc(O)c21.
What is the InChIKey of 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one?
The InChIKey is CLGIBOHWUJNNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c13-8-4-1-3-7-10(8)12(14)15-11(7)9-5-2-6-16-9/h1-6,11,13H.
What are the key properties of 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one?
7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one has a molecular weight of 232.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-thiophen-2-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 13259263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).