1-{4-[(4-Butylphenyl)ethynyl]phenyl}-1-pentanol

HCID 57554563
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Basic information

Standard SMILES
CCCCc1ccc(C#Cc2ccc(C(O)CCCC)cc2)cc1
InChIKey
JHVOWDOMEQPNJE-UHFFFAOYSA-N
Molecular formula
C23H28O
Average molar mass
320.5 g/mol

Names & identifiers

Preferred name
1-{4-[(4-Butylphenyl)ethynyl]phenyl}-1-pentanol
IUPAC
1-[4-[2-(4-butylphenyl)ethynyl]phenyl]pentan-1-ol

Names & synonyms

SCHEMBL1815755JHVOWDOMEQPNJE-UHFFFAOYSA-N1-{4-[(4-butylphenyl)ethynyl]phenyl}-1-pentanol

Database identifiers

PubChem CID
57554563

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
9
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

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