chempirical

3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid

C16H24O3CAS 1611-03-6264.36 g/mol

Open in Covalent MOL file
OOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C16H24O3
Molar mass
264.36 g/mol
Exact mass
264.1725 Da
Melting point
158–159 °C
logP
3.61Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1611-03-6
SMILES
CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1O
InChIKey
QLMGIWHWWWXXME-UHFFFAOYSA-N
InChI
InChI=1S/C16H24O3/c1-15(2,3)11-7-10(9-13(17)18)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3,(H,17,18)

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

Names and synonyms

7 names
  • Benzeneacetic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
  • Acetic acid, (3,5-di-tert-butyl-4-hydroxyphenyl)-
  • 3,5-Di-tert-butyl-4-hydroxyphenylacetic acid
  • 2,6-Di-tert-butyl-4-(carboxymethyl)phenol
  • (4-Hydroxy-3,5-di-tert-butylphenyl)acetic acid
  • 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)acetic acid
  • 2-[3,5-Di(tert-butyl)-4-hydroxyphenyl]acetic acid

Work with 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic 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-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-572 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-158 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-654 % similar 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-454 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-954 % similar 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-254 % similar 3,5-Dihydroxyphenylacetic acid4670-09-151 % similar N,N′-Bis[3-(3′,5′-di-tert-butyl-4′-hydroxyphenyl)propionyl]hydrazine32687-78-851 % similar

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

Same formula

4-(Nonyloxy)benzoic acid15872-43-2 Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-0

Elsewhere

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