chempirical

5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)-3H-benzofuran-2-one

C24H30O2CAS 164391-52-0350.50 g/mol

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OO
EsterLactone

Properties

Molecular formula
C24H30O2
Molar mass
350.50 g/mol
Exact mass
350.2246 Da
Melting point
134–140 °C
logP
5.95Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
164391-52-0
SMILES
Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIKey
CYHYIIFODCKQNP-UHFFFAOYSA-N
InChI
InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3

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Names and synonyms

5 names
  • 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)-
  • 5,7-Bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)-2(3H)-benzofuranone
  • 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)-2(3H)-benzofuranone
  • 3-(3,4-Dimethylphenyl)-5,7-di-tert-butyl-3H-benzofuran-2-one
  • Chinox AO 136

Work with 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)-3H-benzofuran-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-038 % similar 2,4-Di-tert-butylphenyl 3′,5′-di-tert-butyl-4′-hydroxybenzoate4221-80-131 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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