chempirical

3,4-Dimethylanisole

C9H12OCAS 4685-47-6136.19 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Boiling point
202 °C
logP
2.31Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4685-47-6
SMILES
COc1ccc(C)c(C)c1
InChIKey
LVUBSVWMOWKPDJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-methoxy-1,2-dimethyl-
  • Anisole, 3,4-dimethyl-
  • 4-Methoxy-1,2-dimethylbenzene
  • 4-Methoxy-o-xylene
  • 1-Methoxy-3,4-dimethylbenzene
  • 3,4-Dimethylphenol methyl ether
  • 1,2-Dimethyl-4-methoxybenzene
  • 2-Methyl-4-methoxytoluene

Work with 3,4-Dimethylanisole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethoxytoluene24599-58-468 % similar 4-Methoxy-2-methylaniline102-50-165 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-965 % similar 5-Methoxy-2-methylaniline50868-72-965 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-763 % similar 4-Bromo-3-methylanisole27060-75-963 % similar 2,6-Dimethoxynaphthalene5486-55-554 % similar 1,4-Dimethoxybenzene150-78-752 % similar

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

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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