Basic information
- Standard SMILES
CCc1ccccc1C#Cc1ccc(CCC(=O)OC)cc1- InChIKey
KQQOHJBKHUXCDZ-UHFFFAOYSA-N- Molecular formula
- C20H20O2
- Average molar mass
- 292.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-((2-ethylphenyl)ethynyl)phenyl)propanoate
- IUPAC
- methyl 3-[4-[2-(2-ethylphenyl)ethynyl]phenyl]propanoate
Names & synonyms
SCHEMBL1551624KQQOHJBKHUXCDZ-UHFFFAOYSA-NMethyl 3-(4-((2-ethylphenyl)ethynyl)phenyl)propanoate
Database identifiers
- PubChem CID
- 45112274
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
2 records
Compound notes
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