2-(2-acetylthiophen-3-yl)benzoic acid

C13H10O3S — CID 71161885

IUPAC2-(2-acetylthiophen-3-yl)benzoic acid
SMILESCC(=O)c1sccc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H10O3S/c1-8(14)12-10(6-7-17-12)9-4-2-3-5-11(9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyULCFOSUERXBVLO-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-acetylthiophen-3-yl)benzoic acid

2-(2-acetylthiophen-3-yl)benzoic acid (PubChem CID 71161885) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(2-acetylthiophen-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-acetylthiophen-3-yl)benzoic acid
PubChem CID71161885
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name2-(2-acetylthiophen-3-yl)benzoic acid
SMILESCC(=O)c1sccc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H10O3S/c1-8(14)12-10(6-7-17-12)9-4-2-3-5-11(9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyULCFOSUERXBVLO-UHFFFAOYSA-N
XLogP3.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylthiophen-3-yl)benzoic acid
CID 141484344
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
3-acetylthiophene-2-carboxylic acid
CID 818927
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
1-(2-acetylthiophen-3-yl)ethanone
CID 69091147
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
2-(2-propanoylphenyl)benzoic acid
CID 15194783
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylthiophen-3-yl)benzoic acid?
The IUPAC name of 2-(2-acetylthiophen-3-yl)benzoic acid (CID 71161885) is 2-(2-acetylthiophen-3-yl)benzoic acid.
What is the SMILES notation for 2-(2-acetylthiophen-3-yl)benzoic acid?
The canonical SMILES for 2-(2-acetylthiophen-3-yl)benzoic acid is CC(=O)c1sccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-acetylthiophen-3-yl)benzoic acid?
The InChIKey is ULCFOSUERXBVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c1-8(14)12-10(6-7-17-12)9-4-2-3-5-11(9)13(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(2-acetylthiophen-3-yl)benzoic acid?
2-(2-acetylthiophen-3-yl)benzoic acid has a molecular weight of 246.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylthiophen-3-yl)benzoic acid is sourced from PubChem (CID 71161885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).