Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester

HCID 40249

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Basic information

CAS: 52161-02-1
Standard SMILES: CCOC(=O)c1ccccc1OC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIKey: SLADYQWVRRILLV-UHFFFAOYSA-N
Molecular formula: C19H19ClO5
Average molar mass: 362.8 g/mol
Monoisotopic mass: 362.0921014

Names & identifiers

Preferred name: Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester
IUPAC: ethyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoate

Names & synonyms

BRN 2896107BENZOIC ACID, 4-(2-(4-CHLOROPHENOXY)-2-METHYL-1-OXOPROPOXY)-, ETHYL ESTEREthyl 4-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate52161-02-1DTXSID802001824-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid ethyl esterRefChem:327398DTXCID80122673ETHYL 2-{[2-(4-CHLOROPHENOXY)-2-METHYLPROPANOYL]OXY}BENZOATE

Database identifiers

CAS: 52161-02-1
PubChem CID: 40249
DTXSID: DTXSID80200182

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 457

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