chempirical

3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid

C17H26O3CAS 20170-32-5278.39 g/mol

Open in Covalent MOL file
OHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C17H26O3
Molar mass
278.39 g/mol
Exact mass
278.1882 Da
Melting point
172–173 °C
logP
4.00Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
20170-32-5
SMILES
CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O
InChIKey
WPMYUUITDBHVQZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)

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Names and synonyms

24 names · show all
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
  • Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
  • 3,5-Di-tert-butyl-4-hydroxyhydrocinnamic acid
  • β-(4-Hydroxy-3,5-di-tert-butylphenyl)propionic acid
  • β-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
  • 3,5-Di-tert-butyl-4-hydroxybenzenepropanoic acid
  • Fenozan acid
  • Fenozan
  • 4-Hydroxy-3,5-di-tert-butylphenylpropionic acid
  • Phenosan
  • β-(4-Hydroxy-3,5-di-tert-butylphenyl)propanoic acid
  • Phenozan
  • 3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid
  • Phenoxan
  • Fenoxan
  • Fenoksan
  • Phenoxan (antioxidant)
  • Irganox 1310
  • Irganox B 2
  • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic acid
  • Antioxidant AO
  • 3-(3′5′-Di-tert-butyl-4′-hydroxyphenyl) propionic acid

Work with 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid

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

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-672 % similar N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hydrazine32687-78-864 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-563 % similar Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-860 % similar Irganox 109823128-74-757 % similar Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-957 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-154 % similar Antioxidant 10762082-79-353 % similar

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

Same formula

Paradol27113-22-0 4-(Decyloxy)benzoic acid5519-23-3

Elsewhere

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