ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate

C8H9BrO3S — CID 68933507

IUPACethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate
SMILESCCOC(=O)Cc1c(Br)csc1O
InChIInChI=1S/C8H9BrO3S/c1-2-12-7(10)3-5-6(9)4-13-8(5)11/h4,11H,2-3H2,1H3
InChIKeyZQINLMARZHMWAL-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.32
Rot. Bonds3

About ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate

ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate (PubChem CID 68933507) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate
PubChem CID68933507
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Nameethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate
SMILESCCOC(=O)Cc1c(Br)csc1O
InChIInChI=1S/C8H9BrO3S/c1-2-12-7(10)3-5-6(9)4-13-8(5)11/h4,11H,2-3H2,1H3
InChIKeyZQINLMARZHMWAL-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(6-amino-2,3-dibromophenyl)acetate
CID 171010935
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 2-(3,4-difluorothiophen-2-yl)acetate
CID 70546503
ethyl 2-[4-bromo-2-(bromomethyl)-6-methylphenyl]acetate
CID 171006790
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(2-amino-3-bromo-6-chlorophenyl)acetate
CID 171017066
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate?
The IUPAC name of ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate (CID 68933507) is ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate is CCOC(=O)Cc1c(Br)csc1O.
What is the InChIKey of ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate?
The InChIKey is ZQINLMARZHMWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c1-2-12-7(10)3-5-6(9)4-13-8(5)11/h4,11H,2-3H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate?
ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate has a molecular weight of 265.13 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate is sourced from PubChem (CID 68933507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).