Basic information
- Standard SMILES
CC(C)(C)c1cc(C(=O)OCCC(=O)Oc2ccc(Cl)c(N)c2)cc(C(C)(C)C)c1O- InChIKey
MHEOJYHYSVJOTC-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO5
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.1812508
Names & identifiers
- Preferred name
- 2-(3-Amino-4-chlorophenylcarboxy)ethyl 3,5-di-t-butyl-4-hydroxybenzoate
- IUPAC
- [3-(3-amino-4-chlorophenoxy)-3-oxopropyl] 3,5-ditert-butyl-4-hydroxybenzoate
Names & synonyms
SCHEMBL10673328MHEOJYHYSVJOTC-UHFFFAOYSA-N2-(3-Amino-4-chlorophenylcarboxy)ethyl 3,5-di-t-butyl-4-hydroxybenzoate
Database identifiers
- PubChem CID
- 20131007
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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