chempirical

5-Methyl-1,3-benzodioxole

C8H8O2CAS 7145-99-5136.15 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Boiling point
193–195 °C
logP
1.72Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
7145-99-5
SMILES
Cc1ccc2c(c1)OCO2
InChIKey
GHPODDMCSOYWNE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Benzodioxole, 5-methyl-
  • Toluene, 3,4-(methylenedioxy)-
  • 3,4-(Methylenedioxy)toluene
  • 5-Methylbenzo[d][1,3]dioxole
  • NSC 15642
  • 4-Methyl-1,2-methylenedioxybenzene

Work with 5-Methyl-1,3-benzodioxole

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

Calone28940-11-660 % similar 1,1′-Dimethyl 2,2′-[(4-methyl-1,2-phenylene)bis(oxy)]bis[acetate]52589-39-653 % similar 3,4-Dimethoxytoluene494-99-552 % similar Benzodioxol-5-amine14268-66-750 % similar 5-Bromo-1,3-benzodioxole2635-13-450 % similar Sesamol533-31-350 % similar 5-Chloro-1,3-benzodioxole7228-38-850 % similar Isosafrole120-58-148 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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