1-(3-ethoxythiophen-2-yl)ethanone

C8H10O2S — CID 59310733

IUPAC1-(3-ethoxythiophen-2-yl)ethanone
SMILESCCOc1ccsc1C(C)=O
InChIInChI=1S/C8H10O2S/c1-3-10-7-4-5-11-8(7)6(2)9/h4-5H,3H2,1-2H3
InChIKeySTNGDRSQNKVQAI-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-ethoxythiophen-2-yl)ethanone

1-(3-ethoxythiophen-2-yl)ethanone (PubChem CID 59310733) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(3-ethoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxythiophen-2-yl)ethanone
PubChem CID59310733
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name1-(3-ethoxythiophen-2-yl)ethanone
SMILESCCOc1ccsc1C(C)=O
InChIInChI=1S/C8H10O2S/c1-3-10-7-4-5-11-8(7)6(2)9/h4-5H,3H2,1-2H3
InChIKeySTNGDRSQNKVQAI-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxythiophen-2-yl)ethanone?
The IUPAC name of 1-(3-ethoxythiophen-2-yl)ethanone (CID 59310733) is 1-(3-ethoxythiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-ethoxythiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-ethoxythiophen-2-yl)ethanone is CCOc1ccsc1C(C)=O.
What is the InChIKey of 1-(3-ethoxythiophen-2-yl)ethanone?
The InChIKey is STNGDRSQNKVQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-10-7-4-5-11-8(7)6(2)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxythiophen-2-yl)ethanone?
1-(3-ethoxythiophen-2-yl)ethanone has a molecular weight of 170.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxythiophen-2-yl)ethanone is sourced from PubChem (CID 59310733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).