5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde

C24H24O2S — CID 141257855

IUPAC5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde
SMILESCCc1cc(-c2c(C)cc(-c3ccc(C=O)s3)cc2CC)cc(C)c1C=O
InChIInChI=1S/C24H24O2S/c1-5-17-11-20(9-15(3)22(17)14-26)24-16(4)10-19(12-18(24)6-2)23-8-7-21(13-25)27-23/h7-14H,5-6H2,1-4H3
InChIKeyJLUGQAQVMQEBQT-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.45
Rot. Bonds6

About 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde

5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde (PubChem CID 141257855) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde
PubChem CID141257855
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde
SMILESCCc1cc(-c2c(C)cc(-c3ccc(C=O)s3)cc2CC)cc(C)c1C=O
InChIInChI=1S/C24H24O2S/c1-5-17-11-20(9-15(3)22(17)14-26)24-16(4)10-19(12-18(24)6-2)23-8-7-21(13-25)27-23/h7-14H,5-6H2,1-4H3
InChIKeyJLUGQAQVMQEBQT-UHFFFAOYSA-N
XLogP6.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.45
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-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde (CID 141257855) is 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde is CCc1cc(-c2c(C)cc(-c3ccc(C=O)s3)cc2CC)cc(C)c1C=O.
What is the InChIKey of 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde?
The InChIKey is JLUGQAQVMQEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2S/c1-5-17-11-20(9-15(3)22(17)14-26)24-16(4)10-19(12-18(24)6-2)23-8-7-21(13-25)27-23/h7-14H,5-6H2,1-4H3.
What are the key properties of 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde?
5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde has a molecular weight of 376.52 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-(3-ethyl-4-formyl-5-methylphenyl)-5-methylphenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 141257855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).