CAS 88-26-6|2,6-di-tert-butyl-4-(hydroxymethyl)phenol|3,5-Bis(tert-butyl)-4-hydroxybenzyl alcohol, [3,5-Bis(tert-butyl)-4-hydroxyphenyl]methanol|2,6-Bis(tert-butyl)-4-(hydroxymethyl)phenol|2,6-di-te...

General Information

Structure

Molecular Formula

C₁₅H₂₄O₂

Molecular Mass

236.34986

Exact Mass

236.17763001

Charge

InChI

InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3

InChIKey

HNURKXXMYARGAY-UHFFFAOYSA-N

Canonic Smiles

OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

Isomeric Smiles

OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

Calculated Properties

JChem

Acid pKa

10.727963

H Acceptors

H Donor

LogD (pH = 5.5)

3.9924407

LogD (pH = 7.4)

3.9922404

Log P

3.9924433

Molar Refractivity

72.1866

Polarizability

27.971481

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,6-di-tert-butyl-4-(hydroxymethyl)phenol

Synonyms

3,5-Bis(tert-butyl)-4-hydroxybenzyl alcohol, [3,5-Bis(tert-butyl)-4-hydroxyphenyl]methanol2,6-Bis(tert-butyl)-4-(hydroxymethyl)phenol3,5-Di-tert-butyl-4-hydroxybenzyl alcohol3,5-二叔丁基-4-羟基苯甲醇2,6-Di-tert-butyl-4-(hydroxymethyl)phenol2,6-Di-tert-butyl-4-(hydroxymethyl)phenol3,5-二叔丁基-4-羟基苄醇

IUPAC name

2,6-di-tert-butyl-4-(hydroxymethyl)phenol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number