ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate

C8H9BrO3S — CID 68933504

IUPACethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cscc1Br
InChIInChI=1S/C8H9BrO3S/c1-2-12-8(11)7(10)5-3-13-4-6(5)9/h3-4,7,10H,2H2,1H3
InChIKeyAIPDFPTYHUSLFR-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.11
Rot. Bonds3

About ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate

ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate (PubChem CID 68933504) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate
PubChem CID68933504
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Nameethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cscc1Br
InChIInChI=1S/C8H9BrO3S/c1-2-12-8(11)7(10)5-3-13-4-6(5)9/h3-4,7,10H,2H2,1H3
InChIKeyAIPDFPTYHUSLFR-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate (CID 68933504) is ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cscc1Br.
What is the InChIKey of ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate?
The InChIKey is AIPDFPTYHUSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c1-2-12-8(11)7(10)5-3-13-4-6(5)9/h3-4,7,10H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate?
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate has a molecular weight of 265.13 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 68933504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).