chempirical

1-Methoxy-3,5-dimethylbenzene

C9H12OCAS 874-63-5136.19 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
194 °C
logP
2.31Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
874-63-5
SMILES
COc1cc(C)cc(C)c1
InChIKey
JCHJBEZBHANKGA-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-methoxy-3,5-dimethyl-
  • Anisole, 3,5-dimethyl-
  • 3,5-Dimethylanisole
  • 5-Methoxy-m-xylene
  • 5-Methoxy-1,3-dimethylbenzene
  • NSC 406910
  • 3,5-Dimethylphenyl methyl ether

Work with 1-Methoxy-3,5-dimethylbenzene

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

3,5-Dimethoxytoluene4179-19-589 % similar 1,3,5-Trimethoxybenzene621-23-861 % similar 3-Methylanisole100-84-558 % similar 4-Methylanisole104-93-855 % similar Mesitylene108-67-853 % similar 3,4,5-Trimethoxytoluene6443-69-250 % similar 4-Methylsyringol6638-05-746 % similar 3,5-Dimethoxyaniline10272-07-846 % 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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