4-(2-formylthiophen-3-yl)benzoic acid

C12H8O3S — CID 165475913

IUPAC4-(2-formylthiophen-3-yl)benzoic acid
SMILESO=Cc1sccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H8O3S/c13-7-11-10(5-6-16-11)8-1-3-9(4-2-8)12(14)15/h1-7H,(H,14,15)
InChIKeyRACOSBMZFJKRTR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.93
Rot. Bonds3

About 4-(2-formylthiophen-3-yl)benzoic acid

4-(2-formylthiophen-3-yl)benzoic acid (PubChem CID 165475913) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(2-formylthiophen-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-formylthiophen-3-yl)benzoic acid
PubChem CID165475913
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name4-(2-formylthiophen-3-yl)benzoic acid
SMILESO=Cc1sccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H8O3S/c13-7-11-10(5-6-16-11)8-1-3-9(4-2-8)12(14)15/h1-7H,(H,14,15)
InChIKeyRACOSBMZFJKRTR-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde
CID 818840
3-(2-hydroxyphenyl)thiophene-2-carbaldehyde
CID 121218693
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
terephthalic acid
CID 160582437
3-(3-fluoro-4-methylsulfanylphenyl)thiophene-2-carbaldehyde
CID 142093782
4-[5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 53472843
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
azanium 4-formylbenzoic acid
CID 21271797
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
acetaldehyde;4-methylbenzoic acid
CID 88694515

Frequently Asked Questions

What is the IUPAC name of 4-(2-formylthiophen-3-yl)benzoic acid?
The IUPAC name of 4-(2-formylthiophen-3-yl)benzoic acid (CID 165475913) is 4-(2-formylthiophen-3-yl)benzoic acid.
What is the SMILES notation for 4-(2-formylthiophen-3-yl)benzoic acid?
The canonical SMILES for 4-(2-formylthiophen-3-yl)benzoic acid is O=Cc1sccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-formylthiophen-3-yl)benzoic acid?
The InChIKey is RACOSBMZFJKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c13-7-11-10(5-6-16-11)8-1-3-9(4-2-8)12(14)15/h1-7H,(H,14,15).
What are the key properties of 4-(2-formylthiophen-3-yl)benzoic acid?
4-(2-formylthiophen-3-yl)benzoic acid has a molecular weight of 232.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylthiophen-3-yl)benzoic acid is sourced from PubChem (CID 165475913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).