5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde

C17H14OS2 — CID 141257882

IUPAC5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
SMILESCCc1cc(-c2cccs2)ccc1-c1ccc(C=O)s1
InChIInChI=1S/C17H14OS2/c1-2-12-10-13(16-4-3-9-19-16)5-7-15(12)17-8-6-14(11-18)20-17/h3-11H,2H2,1H3
InChIKeySTHZHEWZFAMJJZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.52
Rot. Bonds4

About 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde

5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde (PubChem CID 141257882) has the molecular formula C17H14OS2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
PubChem CID141257882
Molecular FormulaC17H14OS2
Molecular Weight298.43 g/mol
Exact Mass298.05
IUPAC Name5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
SMILESCCc1cc(-c2cccs2)ccc1-c1ccc(C=O)s1
InChIInChI=1S/C17H14OS2/c1-2-12-10-13(16-4-3-9-19-16)5-7-15(12)17-8-6-14(11-18)20-17/h3-11H,2H2,1H3
InChIKeySTHZHEWZFAMJJZ-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde (CID 141257882) is 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde is CCc1cc(-c2cccs2)ccc1-c1ccc(C=O)s1.
What is the InChIKey of 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The InChIKey is STHZHEWZFAMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS2/c1-2-12-10-13(16-4-3-9-19-16)5-7-15(12)17-8-6-14(11-18)20-17/h3-11H,2H2,1H3.
What are the key properties of 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde has a molecular weight of 298.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 141257882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).