3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde

C18H16OS2 — CID 141257903

IUPAC3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
SMILESCCc1c(-c2ccc(-c3cccs3)s2)ccc(C=O)c1C
InChIInChI=1S/C18H16OS2/c1-3-14-12(2)13(11-19)6-7-15(14)16-8-9-18(21-16)17-5-4-10-20-17/h4-11H,3H2,1-2H3
InChIKeyUTPQQMVXDJGXEA-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.83
Rot. Bonds4

About 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde

3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde (PubChem CID 141257903) has the molecular formula C18H16OS2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
PubChem CID141257903
Molecular FormulaC18H16OS2
Molecular Weight312.46 g/mol
Exact Mass312.06
IUPAC Name3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
SMILESCCc1c(-c2ccc(-c3cccs3)s2)ccc(C=O)c1C
InChIInChI=1S/C18H16OS2/c1-3-14-12(2)13(11-19)6-7-15(14)16-8-9-18(21-16)17-5-4-10-20-17/h4-11H,3H2,1-2H3
InChIKeyUTPQQMVXDJGXEA-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(2-ethyl-4-formyl-3-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257926
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
CID 141257893
5-[5-(2,3-diethyl-4-formylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257831
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257882
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-(hydroxymethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene-3-carbaldehyde
CID 57321364
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
3-ethyl-4-hydroxy-2-methylbenzaldehyde
CID 88956319
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde?
The IUPAC name of 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde (CID 141257903) is 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde.
What is the SMILES notation for 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde?
The canonical SMILES for 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde is CCc1c(-c2ccc(-c3cccs3)s2)ccc(C=O)c1C.
What is the InChIKey of 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde?
The InChIKey is UTPQQMVXDJGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS2/c1-3-14-12(2)13(11-19)6-7-15(14)16-8-9-18(21-16)17-5-4-10-20-17/h4-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde?
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde has a molecular weight of 312.46 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde is sourced from PubChem (CID 141257903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).