2-(5-benzoylthiophen-2-yl)propanoic acid

C14H12O3S — CID 5468

IUPAC2-(5-benzoylthiophen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyGUHPRPJDBZHYCJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.17
Rot. Bonds4

About 2-(5-benzoylthiophen-2-yl)propanoic acid

2-(5-benzoylthiophen-2-yl)propanoic acid (PubChem CID 5468) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(5-benzoylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-benzoylthiophen-2-yl)propanoic acid
PubChem CID5468
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2-(5-benzoylthiophen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyGUHPRPJDBZHYCJ-UHFFFAOYSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Suprofen
CID 5359
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
Suprofen methyl ester
CID 3642305
5-(1,1'-Biphenyl-4-yl)thiophene-2-carboxylic acid
CID 7130760
4-(2-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid
CID 483750
4-(5-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid
CID 483752

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-(5-benzoylthiophen-2-yl)propanoic acid (CID 5468) is 2-(5-benzoylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-benzoylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-(5-benzoylthiophen-2-yl)propanoic acid is CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(5-benzoylthiophen-2-yl)propanoic acid?
The InChIKey is GUHPRPJDBZHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17).
What are the key properties of 2-(5-benzoylthiophen-2-yl)propanoic acid?
2-(5-benzoylthiophen-2-yl)propanoic acid has a molecular weight of 260.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 5468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).