4-(4-chlorophenyl)thiophene-2-carboxylic acid

C11H7ClO2S — CID 2735808

IUPAC4-(4-chlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyLNGAFEJENIBSLI-UHFFFAOYSA-N
MW238.70 g/mol
LogP3.77
Rot. Bonds2

About 4-(4-chlorophenyl)thiophene-2-carboxylic acid

4-(4-chlorophenyl)thiophene-2-carboxylic acid (PubChem CID 2735808) has the molecular formula C11H7ClO2S and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)thiophene-2-carboxylic acid
PubChem CID2735808
Molecular FormulaC11H7ClO2S
Molecular Weight238.70 g/mol
Exact Mass237.99
IUPAC Name4-(4-chlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyLNGAFEJENIBSLI-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 4-(4-chlorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)thiophene-2-carboxylic acid (CID 2735808) is 4-(4-chlorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)thiophene-2-carboxylic acid?
The InChIKey is LNGAFEJENIBSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)thiophene-2-carboxylic acid?
4-(4-chlorophenyl)thiophene-2-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 4-(4-chlorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2735808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).