chempirical

2,4,6-Trimethoxybenzonitrile

C10H11NO3CAS 2571-54-2193.20 g/mol

Open in Covalent MOL file
OONO
EtherNitrile

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
142–144 °C
logP
1.58Crippen estimate
Polar surface area
51.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2571-54-2
SMILES
COc1cc(OC)c(C#N)c(OC)c1
InChIKey
GBRHJUMDNWLSCT-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • Benzonitrile, 2,4,6-trimethoxy-

Work with 2,4,6-Trimethoxybenzonitrile

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-Difluoro-4-methoxybenzonitrile123843-66-360 % similar 3,5-Dimethoxybenzonitrile19179-31-857 % similar 2,5-Dimethoxybenzonitrile5312-97-053 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-448 % similar 2,4,6-Trimethoxyphenol20491-92-348 % similar 4-Methoxybenzonitrile874-90-847 % similar 1,3,5-Trimethoxybenzene621-23-846 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-746 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook