1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone

C12H12O2S — CID 79095620

IUPAC1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
SMILESCCc1ccc(C(=O)Cc2cccs2)o1
InChIInChI=1S/C12H12O2S/c1-2-9-5-6-12(14-9)11(13)8-10-4-3-7-15-10/h3-7H,2,8H2,1H3
InChIKeyVFJINLVJDKTUTD-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.33
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone

1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone (PubChem CID 79095620) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
PubChem CID79095620
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
SMILESCCc1ccc(C(=O)Cc2cccs2)o1
InChIInChI=1S/C12H12O2S/c1-2-9-5-6-12(14-9)11(13)8-10-4-3-7-15-10/h3-7H,2,8H2,1H3
InChIKeyVFJINLVJDKTUTD-UHFFFAOYSA-N
XLogP3.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
2-ethyl-5-(2-thiophen-2-ylethyl)furan
CID 126703067
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
1-(5-ethylfuran-2-yl)-3-methylsulfonylpropan-1-one
CID 114969554
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528
5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 111442034
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
carbonochloridic acid;2-ethylthiophene
CID 88766829
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
1-thiophen-2-ylhexane-2,4-dione
CID 86201838

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone (CID 79095620) is 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone is CCc1ccc(C(=O)Cc2cccs2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone?
The InChIKey is VFJINLVJDKTUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-2-9-5-6-12(14-9)11(13)8-10-4-3-7-15-10/h3-7H,2,8H2,1H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone?
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone has a molecular weight of 220.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 79095620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).