Basic information
- Standard SMILES
CCCOc1ccc(C#Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1- InChIKey
SUKRDNUAAKINAI-UHFFFAOYSA-N- Molecular formula
- C22H24O3
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Tert-butoxycarbonyl)phenyl]-2-(4-n-propyloxyphenyl)acetylene
- IUPAC
- tert-butyl 4-[2-(4-propoxyphenyl)ethynyl]benzoate
Names & synonyms
SCHEMBL4059293SUKRDNUAAKINAI-UHFFFAOYSA-N1-[4-(tert-butoxycarbonyl)phenyl]-2-(4-n-propyloxyphenyl)acetylene
Database identifiers
- PubChem CID
- 22925845
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
1 records
Compound notes
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