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

C13H12O2S — CID 141484344

IUPAC2-(2-ethylthiophen-3-yl)benzoic acid
SMILESCCc1sccc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H12O2S/c1-2-12-10(7-8-16-12)9-5-3-4-6-11(9)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyDGYXLVHTZNFFQJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.68
Rot. Bonds3

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

2-(2-ethylthiophen-3-yl)benzoic acid (PubChem CID 141484344) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(2-ethylthiophen-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-ethylthiophen-3-yl)benzoic acid
PubChem CID141484344
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-(2-ethylthiophen-3-yl)benzoic acid
SMILESCCc1sccc1-c1ccccc1C(=O)O
InChIInChI=1S/C13H12O2S/c1-2-12-10(7-8-16-12)9-5-3-4-6-11(9)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyDGYXLVHTZNFFQJ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetylthiophen-3-yl)benzoic acid
CID 71161885
2-(2-carboxyphenyl)benzoic acid;cobalt
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2-(2-propanoylphenyl)benzoic acid
CID 15194783
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-propylthiophene-3-carboxylic acid
CID 131595068
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
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
3-[(3-ethylthiophen-2-yl)methyl]benzotriazole-4-carboxylic acid
CID 115932040

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiophen-3-yl)benzoic acid?
The IUPAC name of 2-(2-ethylthiophen-3-yl)benzoic acid (CID 141484344) is 2-(2-ethylthiophen-3-yl)benzoic acid.
What is the SMILES notation for 2-(2-ethylthiophen-3-yl)benzoic acid?
The canonical SMILES for 2-(2-ethylthiophen-3-yl)benzoic acid is CCc1sccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-ethylthiophen-3-yl)benzoic acid?
The InChIKey is DGYXLVHTZNFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-12-10(7-8-16-12)9-5-3-4-6-11(9)13(14)15/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethylthiophen-3-yl)benzoic acid?
2-(2-ethylthiophen-3-yl)benzoic acid has a molecular weight of 232.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiophen-3-yl)benzoic acid is sourced from PubChem (CID 141484344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).