chempirical

Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate

C16H24O3CAS 2511-22-0264.36 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C16H24O3
Molar mass
264.36 g/mol
Exact mass
264.1725 Da
Melting point
87–88 °C
logP
3.77Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2511-22-0
SMILES
COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
UPVYFJALDJUSOV-UHFFFAOYSA-N
InChI
InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester
  • Methyl 3,5-Di-tert-butyl-4-hydroxybenzoate
  • 3,5-Di-tert-butyl-4-hydroxybenzoic acid methyl ester
  • 4-(Methoxycarbonyl)-2,6-di-tert-butylphenol
  • 2,6-Di-tert-butyl-4-methoxycarbonylphenol

Work with Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate

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

Methyl gallate99-24-160 % similar 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-458 % similar 2,4-Di-tert-butylphenyl 3′,5′-di-tert-butyl-4′-hydroxybenzoate4221-80-158 % similar Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate67845-93-657 % similar Methyl 3,5-dichloro-4-hydroxybenzoate3337-59-557 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-357 % similar Methyl syringate884-35-557 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-455 % similar

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

Same formula

4-(Nonyloxy)benzoic acid15872-43-2 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-6

Elsewhere

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