chempirical

3,5-Dimethoxytoluene

C9H12O2CAS 4179-19-5152.19 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Melting point
145–147 °C
Boiling point
244 °C
logP
2.01Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
4179-19-5
SMILES
COc1cc(C)cc(OC)c1
InChIKey
RIZBLVRXRWHLFA-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1,3-dimethoxy-5-methyl-
  • Toluene, 3,5-dimethoxy-
  • 1,3-Dimethoxy-5-methylbenzene
  • Orcinol dimethyl ether
  • 5-Methylresorcinol dimethyl ether
  • 1-Methyl-3,5-dimethoxybenzene
  • 5-Methyl-1,3-dimethoxybenzene
  • NSC 72352

Work with 3,5-Dimethoxytoluene

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

1-Methoxy-3,5-dimethylbenzene874-63-589 % similar 1,3,5-Trimethoxybenzene621-23-871 % similar 3-Methoxy-5-methylphenol3209-13-067 % similar 3-Methylanisole100-84-558 % similar 4-Methylanisole104-93-855 % similar 3,5-Dimethoxyaniline10272-07-852 % similar 3,5-Dimethoxyphenol500-99-252 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-652 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7

Elsewhere

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