5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid

C13H11ClO2S — CID 154103735

IUPAC5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1CCc1cccs1
InChIInChI=1S/C13H11ClO2S/c14-10-5-3-9(12(8-10)13(15)16)4-6-11-2-1-7-17-11/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyOFZLWQHTSQPJLX-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid

5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid (PubChem CID 154103735) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
PubChem CID154103735
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1CCc1cccs1
InChIInChI=1S/C13H11ClO2S/c14-10-5-3-9(12(8-10)13(15)16)4-6-11-2-1-7-17-11/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyOFZLWQHTSQPJLX-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026
1-(5-chloro-2-methoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105094097
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 27834779
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
4-chloro-2-(thiophen-2-ylmethylcarbamoylamino)benzoic acid
CID 61195227
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid?
The IUPAC name of 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid (CID 154103735) is 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid is O=C(O)c1cc(Cl)ccc1CCc1cccs1.
What is the InChIKey of 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid?
The InChIKey is OFZLWQHTSQPJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c14-10-5-3-9(12(8-10)13(15)16)4-6-11-2-1-7-17-11/h1-3,5,7-8H,4,6H2,(H,15,16).
What are the key properties of 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid?
5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid has a molecular weight of 266.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid is sourced from PubChem (CID 154103735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).