chempirical

3,4,5-Trimethoxytoluene

C10H14O3CAS 6443-69-2182.22 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Melting point
32.7–35.4 °C
Boiling point
68 °C (at 0.03 Torr)
logP
2.02Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
6443-69-2
SMILES
COc1cc(C)cc(OC)c1OC
InChIKey
KCIZTNZGSBSSRM-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3

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Names and synonyms

8 names
  • Benzene, 1,2,3-trimethoxy-5-methyl-
  • Toluene, 3,4,5-trimethoxy-
  • 1,2,3-Trimethoxy-5-methylbenzene
  • 1-Methyl-3,4,5-trimethoxybenzene
  • 3,4,5-Trimethoxy-1-methylbenzene
  • 5-Methylpyrogallol trimethyl ether
  • 2,6-Dimethoxy-4-methylanisole
  • 5-Methyl-1,2,3-trimethoxybenzene

Work with 3,4,5-Trimethoxytoluene

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

4-Methylsyringol6638-05-760 % similar 3,4,5-Trimethoxyaniline24313-88-056 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-856 % similar 3,4-Dimethoxytoluene494-99-556 % similar 3,4,5-Trimethoxyphenol642-71-756 % similar 1-Methoxy-2,3,5-trimethylbenzene20469-61-856 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-252 % similar 3,4,5-Trimethoxybenzylamine18638-99-850 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 (-)-3-Benzyloxy-1,2-propanediol17325-85-8 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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