3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate

HCID 217838

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Basic information

CAS: 39719-62-5
Standard SMILES: CC(C)(Oc1ccccc1)C(=O)OCC(O)COc1ccc(Cl)cc1
InChIKey: KKFZITWOIDJVIN-UHFFFAOYSA-N
Molecular formula: C19H21ClO5
Average molar mass: 364.8 g/mol
Monoisotopic mass: 364.1077515

Names & identifiers

Preferred name: 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate
IUPAC: [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-methyl-2-phenoxypropanoate

Names & synonyms

3-(4-Chlorophenoxy)-2-hydroxypropyl 2-methyl-2-phenoxypropanoate39719-62-5DTXSID70960324RefChem:1066806DTXCID401388184BRN 3009979Propanoic acid, 2-methyl-2-phenoxy-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester

Database identifiers

CAS: 39719-62-5
PubChem CID: 217838
DTXSID: DTXSID70960324

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 65 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 25
Formal charge: 0
Complexity: 401

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