CAS 2215-21-6|3,5-Bis(isopropyl)-2-hydroxybenzoic acid 98%|2-hydroxy-3,5-diisopropylbenzoic acid|2-hydroxy-3,5-bis(propan-2-yl)benzoic acid|3,5-Bis(prop-2-yl)-2-hydroxybenzoic acid|3,5-Bis(isopropyl...

General Information

Structure

Molecular Formula

C₁₃H₁₈O₃

Molecular Mass

222.28022

Exact Mass

222.12559444

Charge

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)

InChIKey

XUFUYOGWFZSHGE-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

OC(=O)c1c(c(cc(c1)C(C)C)C(C)C)O

Calculated Properties

JChem

Acid pKa

2.7717297

H Acceptors

H Donor

LogD (pH = 5.5)

1.8019286

LogD (pH = 7.4)

0.9710878

Log P

4.467282

Molar Refractivity

63.6767

Polarizability

24.151659

Polar Surface Area

57.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3,5-Bis(isopropyl)-2-hydroxybenzoic acid 98%3,5-Bis(prop-2-yl)-2-hydroxybenzoic acid3,5-Bis(isopropyl)salicylic acid3,5-Diisopropyl-2-hydroxybenzoic acid3,5-Diisopropylsalicylic acid3,5-二异丙基邻羟基苯甲酸3,5-二异丙基水杨酸3,5-Diisopropylsalicylic acid3,5-二异丙基水杨酸2-Hydroxy-3,5-diisopropylbenzoic acid

IUPAC name

2-hydroxy-3,5-bis(propan-2-yl)benzoic acid

IUPAC Traditional name

2-hydroxy-3,5-diisopropylbenzoic acid

Names and Identifiers

Registration numbers

EC Number

218-677-8

Beilstein Number

2505176

MDL Number

MFCD00008884