1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone

C12H12O2S — CID 115795642

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccco2)sc1C
InChIInChI=1S/C12H12O2S/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6H,7H2,1-2H3
InChIKeyDBTCIVMFGMCWAK-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.38
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone

1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone (PubChem CID 115795642) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
PubChem CID115795642
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccco2)sc1C
InChIInChI=1S/C12H12O2S/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6H,7H2,1-2H3
InChIKeyDBTCIVMFGMCWAK-UHFFFAOYSA-N
XLogP3.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795749
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029526
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80728224
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733881
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone (CID 115795642) is 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone is Cc1cc(C(=O)Cc2ccco2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone?
The InChIKey is DBTCIVMFGMCWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-8-6-12(15-9(8)2)11(13)7-10-4-3-5-14-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone?
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone has a molecular weight of 220.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 115795642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).