5-(4-chlorophenyl)thiophene-3-carboxylic acid

C11H7ClO2S — CID 79684692

IUPAC5-(4-chlorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)10-5-8(6-15-10)11(13)14/h1-6H,(H,13,14)
InChIKeyMFGBEAIHRUCLKX-UHFFFAOYSA-N
MW238.70 g/mol
LogP3.77
Rot. Bonds2

About 5-(4-chlorophenyl)thiophene-3-carboxylic acid

5-(4-chlorophenyl)thiophene-3-carboxylic acid (PubChem CID 79684692) has the molecular formula C11H7ClO2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)thiophene-3-carboxylic acid
PubChem CID79684692
Molecular FormulaC11H7ClO2S
Molecular Weight238.70 g/mol
Exact Mass237.99
IUPAC Name5-(4-chlorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)10-5-8(6-15-10)11(13)14/h1-6H,(H,13,14)
InChIKeyMFGBEAIHRUCLKX-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)thiophene-3-carboxylic acid (CID 79684692) is 5-(4-chlorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)thiophene-3-carboxylic acid?
The InChIKey is MFGBEAIHRUCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)10-5-8(6-15-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-chlorophenyl)thiophene-3-carboxylic acid?
5-(4-chlorophenyl)thiophene-3-carboxylic acid has a molecular weight of 238.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 79684692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).