3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone

C₁₆H₂₄O₂CAS 14035-33-7248.37 g/mol

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Properties

Molecular formula: C₁₆H₂₄O₂
Molar mass: 248.37 g/mol
Exact mass: 248.1776 Da
logP: 4.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

14035-33-7

SMILES

CC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChIKey

WGJPGMJLARWHRK-UHFFFAOYSA-N

InChI

InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3

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Names and synonyms

1 names

3,5-Di-tert-butyl-4-hydroxyacetophenone

Work with 3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone

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-Di-tert-butyl-4-hydroxybenzoic acid1421-49-464 % similar Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-058 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-153 % similar 2,4,6-Tri-tert-butylphenol732-26-352 % similar Butylated hydroxytoluene128-37-050 % similar 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-650 % similar Acetosyringone2478-38-850 % similar 3,5-Dihydroxyacetophenone51863-60-650 % similar

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

Same formula

2-Ethyl-2-adamantyl methacrylate209982-56-9 4-Nonylbenzoic acid38289-46-2 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-4

Elsewhere

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