2-ethyl-1-benzothiophene-7-carboxylic acid

C11H10O2S — CID 84674306

IUPAC2-ethyl-1-benzothiophene-7-carboxylic acid
SMILESCCc1cc2cccc(C(=O)O)c2s1
InChIInChI=1S/C11H10O2S/c1-2-8-6-7-4-3-5-9(11(12)13)10(7)14-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyRYQJFZFKMNJIQY-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.16
Rot. Bonds2

About 2-ethyl-1-benzothiophene-7-carboxylic acid

2-ethyl-1-benzothiophene-7-carboxylic acid (PubChem CID 84674306) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-ethyl-1-benzothiophene-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-benzothiophene-7-carboxylic acid
PubChem CID84674306
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name2-ethyl-1-benzothiophene-7-carboxylic acid
SMILESCCc1cc2cccc(C(=O)O)c2s1
InChIInChI=1S/C11H10O2S/c1-2-8-6-7-4-3-5-9(11(12)13)10(7)14-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyRYQJFZFKMNJIQY-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-1-benzothiophene-7-carboxylic acid
CID 117183387
2-(2-methylpropyl)-1-benzothiophene-7-carboxylic acid
CID 84697812
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
2-hydroxy-1-(2-methyl-1-benzothiophen-7-yl)ethanone
CID 12623906
2-ethoxy-1,3-benzothiazole-7-carboxylic acid
CID 119086424
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(6-fluoropyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 115496428
3-(7-chloro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117196829
2-pentyl-1,3-benzothiazole-7-carboxylic acid
CID 138602299
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-benzothiophene-7-carboxylic acid?
The IUPAC name of 2-ethyl-1-benzothiophene-7-carboxylic acid (CID 84674306) is 2-ethyl-1-benzothiophene-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-benzothiophene-7-carboxylic acid?
The canonical SMILES for 2-ethyl-1-benzothiophene-7-carboxylic acid is CCc1cc2cccc(C(=O)O)c2s1.
What is the InChIKey of 2-ethyl-1-benzothiophene-7-carboxylic acid?
The InChIKey is RYQJFZFKMNJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-8-6-7-4-3-5-9(11(12)13)10(7)14-8/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-1-benzothiophene-7-carboxylic acid?
2-ethyl-1-benzothiophene-7-carboxylic acid has a molecular weight of 206.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-benzothiophene-7-carboxylic acid is sourced from PubChem (CID 84674306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).