5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid

C11H6Cl2O2S — CID 43363555

IUPAC5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C11H6Cl2O2S/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyWHLHVJQEBFYQDE-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.42
Rot. Bonds2

About 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid

5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid (PubChem CID 43363555) has the molecular formula C11H6Cl2O2S and a molecular weight of 273.14 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid
PubChem CID43363555
Molecular FormulaC11H6Cl2O2S
Molecular Weight273.14 g/mol
Exact Mass271.95
IUPAC Name5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C11H6Cl2O2S/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKeyWHLHVJQEBFYQDE-UHFFFAOYSA-N
XLogP4.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CID 739884
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
3,4-Dichloro-1-benzothiophene-2-carboxylic acid
CID 819258
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
CID 750330
3-Chloro-1-benzothiophene-2-carboxylic acid
CID 307964
5-(4-Chlorophenyl)thiophene-2-carboxylic acid
CID 613486
3-[(3,4-Dichlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid
CID 2765033
Methyl 5-[2-(3-chlorophenyl)ethenyl]thiophene-2-carboxylate
CID 2740550
Benzeneacetic acid, 4-((5-chloro-2-thienyl)carbonyl)-alpha-methyl-
CID 3040655
5-(4-Fluorophenyl)thiophene-2-carboxylic acid
CID 1873401
4-(4-Chlorophenyl)thiophene-2-carboxylic acid
CID 2735808
5-(4-Methylphenyl)thiophene-2-carboxylic acid
CID 12323209

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid (CID 43363555) is 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid?
The InChIKey is WHLHVJQEBFYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O2S/c12-7-3-6(4-8(13)5-7)9-1-2-10(16-9)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid?
5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid has a molecular weight of 273.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43363555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).