2,4-Bis(2-methylbutan-2-yl)phenyl (4-aminophenoxy)acetate
Basic information
- CAS
111961-90-1- Standard SMILES
CCC(C)(C)c1ccc(OC(=O)COc2ccc(N)cc2)c(C(C)(C)CC)c1- InChIKey
PEQFGVMRRWBVAZ-UHFFFAOYSA-N- Molecular formula
- C24H33NO3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.24604391
Names & identifiers
- Preferred name
- 2,4-Bis(2-methylbutan-2-yl)phenyl (4-aminophenoxy)acetate
- IUPAC
- [2,4-bis(2-methylbutan-2-yl)phenyl] 2-(4-aminophenoxy)acetate
Names & synonyms
DTXSID5011901622,4-Bis(2-methylbutan-2-yl)phenyl (4-aminophenoxy)acetate2,4-Bis(1,1-dimethylpropyl)phenyl 2-(4-aminophenoxy)acetate111961-90-1
Database identifiers
- CAS
111961-90-1- PubChem CID
- 85536951
- DTXSID
DTXSID501190162
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 494
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…