1-benzofuran-2-yl(thiophen-2-yl)methanone

C13H8O2S — CID 684173

IUPAC1-benzofuran-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccs1
InChIInChI=1S/C13H8O2S/c14-13(12-6-3-7-16-12)11-8-9-4-1-2-5-10(9)15-11/h1-8H
InChIKeyMBFQKZLYHWGGDK-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.73
Rot. Bonds2

About 1-benzofuran-2-yl(thiophen-2-yl)methanone

1-benzofuran-2-yl(thiophen-2-yl)methanone (PubChem CID 684173) has the molecular formula C13H8O2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-benzofuran-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(thiophen-2-yl)methanone
PubChem CID684173
Molecular FormulaC13H8O2S
Molecular Weight228.27 g/mol
Exact Mass228.02
IUPAC Name1-benzofuran-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cccs1
InChIInChI=1S/C13H8O2S/c14-13(12-6-3-7-16-12)11-8-9-4-1-2-5-10(9)15-11/h1-8H
InChIKeyMBFQKZLYHWGGDK-UHFFFAOYSA-N
XLogP3.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(thiophen-2-yl)methanone (CID 684173) is 1-benzofuran-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(thiophen-2-yl)methanone is O=C(c1cc2ccccc2o1)c1cccs1.
What is the InChIKey of 1-benzofuran-2-yl(thiophen-2-yl)methanone?
The InChIKey is MBFQKZLYHWGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S/c14-13(12-6-3-7-16-12)11-8-9-4-1-2-5-10(9)15-11/h1-8H.
What are the key properties of 1-benzofuran-2-yl(thiophen-2-yl)methanone?
1-benzofuran-2-yl(thiophen-2-yl)methanone has a molecular weight of 228.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).