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Home > Encyclopedia > octyl 2-[4-(2-methylpropyl)phenyl]propanoate

octyl 2-[4-(2-methylpropyl)phenyl]propanoate

octyl 2-[4-(2-methylpropyl)phenyl]propanoate structure

octyl 2-[4-(2-methylpropyl)phenyl]propanoate 

structure
  • CAS No:

    82859-85-6

  • Formula:

    C21H34O2

  • Chemical Name:

    octyl 2-[4-(2-methylpropyl)phenyl]propanoate

  • Synonyms:

    82859-85-6;Ibuprofen octyl;octyl 2-[4-(2-methylpropyl)phenyl]propanoate;Ibuprofen, octyl ester;Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, octyl ester;SCHEMBL2129263;DTXSID601002970

octyl 2-[4-(2-methylpropyl)phenyl]propanoate Basic Attributes

318.5 g/mol

318.255880323 g/mol

Characteristics

26.3 Ų

Computed Properties

Molecular Weight:318.5
XLogP3:7.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:318.255880323
Monoisotopic Mass:318.255880323
Topological Polar Surface Area:26.3
Heavy Atom Count:23
Complexity:303
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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