Basic information
- CAS
52160-88-0- Standard SMILES
CCCCOC(=O)c1ccccc1OC(=O)C(C)(C)Oc1ccc(Cl)cc1- InChIKey
AMWSXBGXDAYRFW-UHFFFAOYSA-N- Molecular formula
- C21H23ClO5
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1234015
Names & identifiers
- Preferred name
- Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester
- IUPAC
- butyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate
Names & synonyms
BRN 2896566BENZOIC ACID, 2-(2-(4-CHLOROPHENOXY)-2-METHYL-1-OXOPROPOXY)-, BUTYL ESTERButyl 2-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate52160-88-0DTXSID202001812-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid butyl esterRefChem:326745DTXCID20122672Butyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}benzoate
Database identifiers
- CAS
52160-88-0- PubChem CID
- 40248
- DTXSID
DTXSID20200181
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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