1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone

C14H10O2S — CID 16768558

IUPAC1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(-c3cccs3)ccc2o1
InChIInChI=1S/C14H10O2S/c1-9(15)13-8-11-7-10(4-5-12(11)16-13)14-3-2-6-17-14/h2-8H,1H3
InChIKeyOQVBTVOHOAZFDF-UHFFFAOYSA-N
MW242.30 g/mol
LogP4.36
Rot. Bonds2

About 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone

1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone (PubChem CID 16768558) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone
PubChem CID16768558
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(-c3cccs3)ccc2o1
InChIInChI=1S/C14H10O2S/c1-9(15)13-8-11-7-10(4-5-12(11)16-13)14-3-2-6-17-14/h2-8H,1H3
InChIKeyOQVBTVOHOAZFDF-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-(2-amino-5-thiophen-2-ylphenyl)-5-(methylsulfonimidoyl)-1-benzofuran-2-carboxamide
CID 168792406
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
tert-butyl N-[2-[[5-(methylsulfonimidoyl)-1-benzofuran-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 168792685
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226
(2-methyl-4-thiophen-2-ylphenyl) acetate
CID 174371049
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone (CID 16768558) is 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(-c3cccs3)ccc2o1.
What is the InChIKey of 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone?
The InChIKey is OQVBTVOHOAZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S/c1-9(15)13-8-11-7-10(4-5-12(11)16-13)14-3-2-6-17-14/h2-8H,1H3.
What are the key properties of 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone?
1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone has a molecular weight of 242.30 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 16768558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).