CAS 91-04-3|2,6-DIMETHYLOL-p-CRESOL|2,6-bis(hydroxymethyl)-4-methylphenol|2,6-Bis(hydroxymethyl)-p-cresol|2,6-bis(hydroxymethyl)-4-methylphenol|2,6-Bis(hydroxymethyl)-4-methylphenol 97%|2,6-di(hydro...

General Information

Structure

Molecular Formula

C₉H₁₂O₃

Molecular Mass

168.18978

Exact Mass

168.07864424

Charge

InChI

InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

InChIKey

KUMMBDBTERQYCG-UHFFFAOYSA-N

Canonic Smiles

OCc1cc(C)cc(c1O)CO

Isomeric Smiles

Oc1c(cc(cc1CO)C)CO

Calculated Properties

JChem

Acid pKa

10.659863

H Acceptors

H Donor

LogD (pH = 5.5)

0.64839935

LogD (pH = 7.4)

0.64816517

Log P

0.64840233

Molar Refractivity

46.7119

Polarizability

17.617008

Polar Surface Area

60.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2,6-bis(hydroxymethyl)-4-methylphenol

Synonyms

2,6-DIMETHYLOL-p-CRESOL2,6-Bis(hydroxymethyl)-p-cresol2,6-Bis(hydroxymethyl)-4-methylphenol 97%2,6-di(hydroxymethyl)-4-methylphenol2,6-双(羟甲基)-对甲酚(2-Hydroxy-5-methyl-1,3-phenylene)dimethanol2,6-Bis(hydroxymethyl)-p-cresol 2,6-Bis(hydroxymethyl)-p-cresol 2,6-双(羟基甲基)-对-甲酚2-Hydroxy-5-methyl-1,3-benzenedimethanol

IUPAC Traditional name

2,6-bis(hydroxymethyl)-4-methylphenol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

EC Number