Tert-butyl 2-[4-chloro-2-[2-(5-methylsulfonyl-2-propylphenyl)ethynyl]phenoxy]acetate
Basic information
- Standard SMILES
CCCc1ccc(S(C)(=O)=O)cc1C#Cc1cc(Cl)ccc1OCC(=O)OC(C)(C)C- InChIKey
WULNWWNVPFVQFT-UHFFFAOYSA-N- Molecular formula
- C24H27ClO5S
- Average molar mass
- 463 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[4-chloro-2-[2-(5-methylsulfonyl-2-propylphenyl)ethynyl]phenoxy]acetate
- IUPAC
- tert-butyl 2-[4-chloro-2-[2-(5-methylsulfonyl-2-propylphenyl)ethynyl]phenoxy]acetate
Names & synonyms
1240287-24-4SCHEMBL12145926WULNWWNVPFVQFT-UHFFFAOYSA-NDA-46851tert-butyl(4-chloro-2-{[5-(methylsulfonyl)-2-propylphenyl]ethynyl}phenoxy)acetate
Database identifiers
- PubChem CID
- 58522017
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 767
Related reactions
1 records
Compound notes
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