5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid

C13H11ClO2S — CID 7018688

IUPAC5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c1-2-8-7-11(13(15)16)17-12(8)9-3-5-10(14)6-4-9/h3-7H,2H2,1H3,(H,15,16)
InChIKeyLMPWZOKTUAGCHE-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.33
Rot. Bonds3

About 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid

5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid (PubChem CID 7018688) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
PubChem CID7018688
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClO2S/c1-2-8-7-11(13(15)16)17-12(8)9-3-5-10(14)6-4-9/h3-7H,2H2,1H3,(H,15,16)
InChIKeyLMPWZOKTUAGCHE-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid (CID 7018688) is 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid is CCc1cc(C(=O)O)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid?
The InChIKey is LMPWZOKTUAGCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-2-8-7-11(13(15)16)17-12(8)9-3-5-10(14)6-4-9/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid?
5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid has a molecular weight of 266.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 7018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).