5-(2-ethylphenyl)thiophene-2-carboxylic acid

C13H12O2S — CID 43153964

IUPAC5-(2-ethylphenyl)thiophene-2-carboxylic acid
SMILESCCc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMVIOXXJJRFAADN-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.68
Rot. Bonds3

About 5-(2-ethylphenyl)thiophene-2-carboxylic acid

5-(2-ethylphenyl)thiophene-2-carboxylic acid (PubChem CID 43153964) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(2-ethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylphenyl)thiophene-2-carboxylic acid
PubChem CID43153964
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name5-(2-ethylphenyl)thiophene-2-carboxylic acid
SMILESCCc1ccccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyMVIOXXJJRFAADN-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-ethylphenyl)thiophene-2-carboxylic acid (CID 43153964) is 5-(2-ethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-ethylphenyl)thiophene-2-carboxylic acid is CCc1ccccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-ethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is MVIOXXJJRFAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-9-5-3-4-6-10(9)11-7-8-12(16-11)13(14)15/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 5-(2-ethylphenyl)thiophene-2-carboxylic acid?
5-(2-ethylphenyl)thiophene-2-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43153964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).