chempirical

2,6-Bis(hydroxymethyl)-P-cresol

C9H12O3CAS 91-04-3168.19 g/mol

Open in Covalent MOL file
OHOHHO
AlcoholPhenol

Properties

Molecular formula
C9H12O3
Molar mass
168.19 g/mol
Exact mass
168.0786 Da
Melting point
128 °C
logP
0.69Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
91-04-3
SMILES
Cc1cc(CO)c(O)c(CO)c1
InChIKey
KUMMBDBTERQYCG-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-
  • α1,α3-Mesitylenediol, 2-hydroxy-
  • 2-Hydroxy-5-methyl-1,3-benzenedimethanol
  • 2,6-Dimethylol-4-methylphenol
  • 2,6-Dimethylol-p-cresol
  • α1,α3,2-Trihydroxymesitylene
  • 2,6-Bis(hydroxymethyl)-4-methylphenol
  • 2,6-Di(hydroxymethyl)-p-cresol
  • NSC 15838
  • DML-PC
  • 4-Methyl-2,6-bis(hydroxymethyl)phenol
  • 26DMPC
  • AV Lite 26DMPC
  • (2-Hydroxy-5-methyl-1,3-phenylene)dimethanol

Work with 2,6-Bis(hydroxymethyl)-P-cresol

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

5,5′-(1-Methylethylidene)bis[2-hydroxy-1,3-benzenedimethanol]3957-22-055 % similar 2,5-Dimethylbenzyl alcohol53957-33-852 % similar 3,5-Dimethylbenzyl alcohol27129-87-950 % similar 2,6-Dibromo-4-methylphenol2432-14-648 % similar 2,4-Dimethylbenzyl alcohol16308-92-247 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-546 % similar Mesitol527-60-646 % similar 2,2′-Methylenebis[4-methyl-6-tert-butylphenol]119-47-145 % similar

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

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid mh19438-60-9 Homovanillyl alcohol2380-78-1 2,5-Dimethoxybenzyl alcohol33524-31-1 3-Phenoxy-1,2-propanediol538-43-2 2,3-Dimethoxybenzyl alcohol5653-67-8 8-Oxaspiro[4.5]decane-7,9-dione5662-95-3

Elsewhere

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