6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid

C11H10O3S — CID 131482228

IUPAC6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid
SMILESCCc1cc2sc(C(=O)O)cc2cc1O
InChIInChI=1S/C11H10O3S/c1-2-6-4-9-7(3-8(6)12)5-10(15-9)11(13)14/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyYNOSDEANEJNLEF-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.87
Rot. Bonds2

About 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid

6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid (PubChem CID 131482228) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid
PubChem CID131482228
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid
SMILESCCc1cc2sc(C(=O)O)cc2cc1O
InChIInChI=1S/C11H10O3S/c1-2-6-4-9-7(3-8(6)12)5-10(15-9)11(13)14/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyYNOSDEANEJNLEF-UHFFFAOYSA-N
XLogP2.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid (CID 131482228) is 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid is CCc1cc2sc(C(=O)O)cc2cc1O.
What is the InChIKey of 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is YNOSDEANEJNLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-2-6-4-9-7(3-8(6)12)5-10(15-9)11(13)14/h3-5,12H,2H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid?
6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 222.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 131482228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).