3,5-Diisopropylsalicylic acid

C₁₃H₁₈O₃CAS 2215-21-6222.28 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₃H₁₈O₃
Molar mass: 222.28 g/mol
Exact mass: 222.1256 Da
Melting point: 118.5 °C
logP: 3.34Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

2215-21-6

SMILES

CC(C)c1cc(C(=O)O)c(O)c(C(C)C)c1

InChIKey

XUFUYOGWFZSHGE-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-
Salicylic acid, 3,5-diisopropyl-
2-Hydroxy-3,5-bis(1-methylethyl)benzoic acid
3,5-Diisopropyl-2-hydroxybenzoic acid
2-Hydroxy-3,5-diisopropylbenzoic acid
2-Hydroxy-3,5-bis(propan-2-yl)benzoic acid

Work with 3,5-Diisopropylsalicylic 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

2,4,6-Tris(1-methylethyl)benzoic acid49623-71-463 % similar 4-Isopropylbenzoic acid536-66-345 % similar 3,5-Dibromosalicylic acid3147-55-544 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-244 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-243 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-641 % similar 3,5-Dichlorosalicylic acid320-72-940 % similar 1,4-Dihydroxy-2-naphthoic acid31519-22-940 % similar

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

Same formula

Hexyl 4-hydroxybenzoate1083-27-8 4-(Hexyloxy)benzoic acid1142-39-8 1,1-Diethoxy-3-phenyl-2-propanone19256-31-6 3-Hydroxy-1-adamantyl acrylate216581-76-9 Hexyl salicylate6259-76-3

Elsewhere

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