Methyl 4-[(4-butylphenyl)ethynyl]benzoate

HCID 57554541
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Basic information

Standard SMILES
CCCCc1ccc(C#Cc2ccc(C(=O)OC)cc2)cc1
InChIKey
IKOFASUOBOLXNL-UHFFFAOYSA-N
Molecular formula
C20H20O2
Average molar mass
292.4 g/mol
Monoisotopic mass
292.14632988

Names & identifiers

Preferred name
Methyl 4-[(4-butylphenyl)ethynyl]benzoate
IUPAC
methyl 4-[2-(4-butylphenyl)ethynyl]benzoate

Names & synonyms

SCHEMBL1813169IKOFASUOBOLXNL-UHFFFAOYSA-NMethyl 4-[(4-butylphenyl)ethynyl]benzoate

Database identifiers

PubChem CID
57554541

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
22

Related reactions

4 records
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Compound notes

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