4-Hydroxy-3,5-dimethylbenzonitrile

C₉H₉NOCAS 4198-90-7147.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
Melting point: 105 °C
logP: 1.88Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

4198-90-7

SMILES

Cc1cc(C#N)cc(C)c1O

InChIKey

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 4-hydroxy-3,5-dimethyl-
2,6-Dimethyl-4-cyanophenol
3,5-Dimethyl-4-hydroxybenzonitrile
4-Cyano-2,6-dimethylphenol

Work with 4-Hydroxy-3,5-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

Ioxynil1689-83-457 % similar 4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar 3,4-Dimethylbenzonitrile22884-95-354 % similar 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-152 % similar Bromoxynil1689-84-552 % similar Chloroxynil1891-95-852 % similar Mesitol527-60-650 % similar 2,6-Dimethylhydroquinone654-42-250 % 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

PubChem CAS Common Chemistry NIST WebBook