chempirical

4-Hydroxy-2,6-dimethylbenzonitrile

C9H9NOCAS 58537-99-8147.18 g/mol

Open in Covalent MOL file
OHN
NitrilePhenol

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
174–175 °C
logP
1.88Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
58537-99-8
SMILES
Cc1cc(O)cc(C)c1C#N
InChIKey
KZEJTKHRBQWACL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 4-hydroxy-2,6-dimethyl-
  • 4-Cyano-3,5-dimethylphenol

Work with 4-Hydroxy-2,6-dimethylbenzonitrile

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

2,6-Dimethylbenzonitrile6575-13-952 % similar Chloroxylenol88-04-052 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-252 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-052 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-852 % similar 2,6-Dimethylhydroquinone654-42-250 % similar 3,5-Dihydroxybenzonitrile19179-36-348 % similar 4-Amino-3,5-dimethylphenol3096-70-648 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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