2-(4-thiophen-2-ylphenyl)propanoic acid

C13H12O2S — CID 11241755

IUPAC2-(4-thiophen-2-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H12O2S/c1-9(13(14)15)10-4-6-11(7-5-10)12-3-2-8-16-12/h2-9H,1H3,(H,14,15)
InChIKeyXOUKLKNZNNTUGW-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-thiophen-2-ylphenyl)propanoic acid

2-(4-thiophen-2-ylphenyl)propanoic acid (PubChem CID 11241755) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-thiophen-2-ylphenyl)propanoic acid
PubChem CID11241755
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-(4-thiophen-2-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H12O2S/c1-9(13(14)15)10-4-6-11(7-5-10)12-3-2-8-16-12/h2-9H,1H3,(H,14,15)
InChIKeyXOUKLKNZNNTUGW-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(4-thiophen-2-ylphenyl)propanoic acid (CID 11241755) is 2-(4-thiophen-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-thiophen-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(4-thiophen-2-ylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-thiophen-2-ylphenyl)propanoic acid?
The InChIKey is XOUKLKNZNNTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9(13(14)15)10-4-6-11(7-5-10)12-3-2-8-16-12/h2-9H,1H3,(H,14,15).
What are the key properties of 2-(4-thiophen-2-ylphenyl)propanoic acid?
2-(4-thiophen-2-ylphenyl)propanoic acid has a molecular weight of 232.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylphenyl)propanoic acid is sourced from PubChem (CID 11241755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).