5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde

C19H18OS2 — CID 141257761

IUPAC5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
SMILESCCc1cc(-c2cccs2)cc(CC)c1-c1ccc(C=O)s1
InChIInChI=1S/C19H18OS2/c1-3-13-10-15(17-6-5-9-21-17)11-14(4-2)19(13)18-8-7-16(12-20)22-18/h5-12H,3-4H2,1-2H3
InChIKeyUNZSJNTZUUUHQD-UHFFFAOYSA-N
MW326.49 g/mol
LogP6.08
Rot. Bonds5

About 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde

5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde (PubChem CID 141257761) has the molecular formula C19H18OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
PubChem CID141257761
Molecular FormulaC19H18OS2
Molecular Weight326.49 g/mol
Exact Mass326.08
IUPAC Name5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
SMILESCCc1cc(-c2cccs2)cc(CC)c1-c1ccc(C=O)s1
InChIInChI=1S/C19H18OS2/c1-3-13-10-15(17-6-5-9-21-17)11-14(4-2)19(13)18-8-7-16(12-20)22-18/h5-12H,3-4H2,1-2H3
InChIKeyUNZSJNTZUUUHQD-UHFFFAOYSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.49
LogP ≤ 56.08
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-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde (CID 141257761) is 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde is CCc1cc(-c2cccs2)cc(CC)c1-c1ccc(C=O)s1.
What is the InChIKey of 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
The InChIKey is UNZSJNTZUUUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS2/c1-3-13-10-15(17-6-5-9-21-17)11-14(4-2)19(13)18-8-7-16(12-20)22-18/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde?
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde has a molecular weight of 326.49 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 141257761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).