chempirical

2,4,6-Tris(1-methylethyl)benzoic acid

C16H24O2CAS 49623-71-4248.37 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C16H24O2
Molar mass
248.37 g/mol
Exact mass
248.1776 Da
Melting point
186–187 °C
logP
4.75Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
49623-71-4
SMILES
CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C)C)c1
InChIKey
ULVHAZFBJJXIDO-UHFFFAOYSA-N
InChI
InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)

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Names and synonyms

5 names
  • Benzoic acid, 2,4,6-tris(1-methylethyl)-
  • Benzoic acid, 2,4,6-triisopropyl-
  • 2,4,6-Triisopropylbenzoic acid
  • 2,4,6-Triisopropylphenylcarboxylic acid
  • NSC 60075

Work with 2,4,6-Tris(1-methylethyl)benzoic 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-Diisopropylsalicylic acid2215-21-663 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-259 % similar 4-Isopropylbenzoic acid536-66-352 % similar 1,3,5-Triisopropylbenzene717-74-841 % similar 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride6553-96-441 % similar 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-840 % similar 2,6-Dihydroxy-4-methylbenzoic acid480-67-139 % similar 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-538 % similar

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

Same formula

2-Ethyl-2-adamantyl methacrylate209982-56-9

Elsewhere

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