2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone

C13H14O2S — CID 114967718

IUPAC2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(C)o2)s1
InChIInChI=1S/C13H14O2S/c1-3-10-5-6-11(16-10)8-12(14)13-7-4-9(2)15-13/h4-7H,3,8H2,1-2H3
InChIKeyRBXTZHSAXGNUOQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.64
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone (PubChem CID 114967718) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
PubChem CID114967718
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(C)o2)s1
InChIInChI=1S/C13H14O2S/c1-3-10-5-6-11(16-10)8-12(14)13-7-4-9(2)15-13/h4-7H,3,8H2,1-2H3
InChIKeyRBXTZHSAXGNUOQ-UHFFFAOYSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783
2,5-diethylthiophene
CID 521294
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 79985780

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone (CID 114967718) is 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone is CCc1ccc(CC(=O)c2ccc(C)o2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is RBXTZHSAXGNUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-3-10-5-6-11(16-10)8-12(14)13-7-4-9(2)15-13/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 234.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 114967718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).