2-ethoxy-1-thiophen-2-ylethanone

C8H10O2S — CID 43799570

IUPAC2-ethoxy-1-thiophen-2-ylethanone
SMILESCCOCC(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-2-10-6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyJHEKRKJIWJSBLG-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.97
Rot. Bonds4

About 2-ethoxy-1-thiophen-2-ylethanone

2-ethoxy-1-thiophen-2-ylethanone (PubChem CID 43799570) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-ethoxy-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-thiophen-2-ylethanone
PubChem CID43799570
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-ethoxy-1-thiophen-2-ylethanone
SMILESCCOCC(=O)c1cccs1
InChIInChI=1S/C8H10O2S/c1-2-10-6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyJHEKRKJIWJSBLG-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
2-(3-ethoxypropylamino)-1-thiophen-2-ylethanone
CID 82102123
2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
CID 43798587
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-thiophen-2-ylethanone?
The IUPAC name of 2-ethoxy-1-thiophen-2-ylethanone (CID 43799570) is 2-ethoxy-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-ethoxy-1-thiophen-2-ylethanone?
The canonical SMILES for 2-ethoxy-1-thiophen-2-ylethanone is CCOCC(=O)c1cccs1.
What is the InChIKey of 2-ethoxy-1-thiophen-2-ylethanone?
The InChIKey is JHEKRKJIWJSBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-10-6-7(9)8-4-3-5-11-8/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethoxy-1-thiophen-2-ylethanone?
2-ethoxy-1-thiophen-2-ylethanone has a molecular weight of 170.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-thiophen-2-ylethanone is sourced from PubChem (CID 43799570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).