4-[(4-Hexylphenyl)ethynyl]benzaldehyde

HCID 11289286
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Basic information

Standard SMILES
CCCCCCc1ccc(C#Cc2ccc(C=O)cc2)cc1
InChIKey
WJMRBXOIZACEGJ-UHFFFAOYSA-N
Molecular formula
C21H22O
Average molar mass
290.4 g/mol

Names & identifiers

Preferred name
4-[(4-Hexylphenyl)ethynyl]benzaldehyde
IUPAC
4-[2-(4-hexylphenyl)ethynyl]benzaldehyde

Names & synonyms

SCHEMBL1860546WJMRBXOIZACEGJ-UHFFFAOYSA-N4-(4-hexyl-phenylethynyl)-benzaldehyde4-[(4-hexylphenyl)ethynyl]benzaldehyde

Database identifiers

PubChem CID
11289286

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
22

Related reactions

4 records
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Compound notes

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