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

C17H12O2S — CID 53472759

IUPAC4-(4-thiophen-2-ylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C17H12O2S/c18-17(19)15-9-5-13(6-10-15)12-3-7-14(8-4-12)16-2-1-11-20-16/h1-11H,(H,18,19)
InChIKeyPSLCTRQZORVWQQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.78
Rot. Bonds3

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

4-(4-thiophen-2-ylphenyl)benzoic acid (PubChem CID 53472759) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-thiophen-2-ylphenyl)benzoic acid
PubChem CID53472759
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name4-(4-thiophen-2-ylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C17H12O2S/c18-17(19)15-9-5-13(6-10-15)12-3-7-14(8-4-12)16-2-1-11-20-16/h1-11H,(H,18,19)
InChIKeyPSLCTRQZORVWQQ-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylphenyl)benzoic acid?
The IUPAC name of 4-(4-thiophen-2-ylphenyl)benzoic acid (CID 53472759) is 4-(4-thiophen-2-ylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-thiophen-2-ylphenyl)benzoic acid?
The canonical SMILES for 4-(4-thiophen-2-ylphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of 4-(4-thiophen-2-ylphenyl)benzoic acid?
The InChIKey is PSLCTRQZORVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17(19)15-9-5-13(6-10-15)12-3-7-14(8-4-12)16-2-1-11-20-16/h1-11H,(H,18,19).
What are the key properties of 4-(4-thiophen-2-ylphenyl)benzoic acid?
4-(4-thiophen-2-ylphenyl)benzoic acid has a molecular weight of 280.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylphenyl)benzoic acid is sourced from PubChem (CID 53472759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).