chempirical

Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

C18H28O3CAS 6386-38-5292.42 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C18H28O3
Molar mass
292.42 g/mol
Exact mass
292.2038 Da
Melting point
66–66.5 °C
Boiling point
125–130 °C (at 0.1 Torr)
logP
4.09Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
6386-38-5
SMILES
COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
PXMJCECEFTYEKE-UHFFFAOYSA-N
InChI
InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
  • Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester
  • Methyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
  • Methyl β-3,5-di-tert-butyl-4-hydroxyphenylpropionate
  • Methylox
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid methyl ester
  • Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate
  • Methyl 3,5-di-tert-butyl-4-hydroxy-β-phenylpropionate
  • Methyl 3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionate
  • Metilox
  • Methyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
  • Methyl 3-(4-hydroxy-3,5-di-tert-butylphenyl)propionate
  • Fenozan 1
  • Methyl β-(4-hydroxy-3,5-di-tert-butylphenyl)propanoate
  • Ralox 35
  • Phenosan methyl ester
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
  • Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Work with Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

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

Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-871 % similar Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-967 % similar 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-563 % similar Antioxidant 10762082-79-363 % similar 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]70331-94-163 % similar Antioxidant 24536443-68-259 % similar N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hydrazine32687-78-856 % similar Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-055 % similar

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

Same formula

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid13402-96-5 4-(Undecyloxy)benzoic acid15872-44-3

Elsewhere

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