chempirical

1,2-Bis(3′-methylphenoxy)ethane

C16H18O2CAS 54914-85-1242.32 g/mol

Open in Covalent MOL file
OO
Ether

Properties

Molecular formula
C16H18O2
Molar mass
242.32 g/mol
Exact mass
242.1307 Da
Melting point
98 °C
logP
3.76Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
54914-85-1
SMILES
Cc1cccc(OCCOc2cccc(C)c2)c1
InChIKey
OAGNKYSIOSDNIG-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1,1′-[1,2-ethanediylbis(oxy)]bis[3-methyl-
  • 1,1′-[1,2-Ethanediylbis(oxy)]bis[3-methylbenzene]
  • 1,2-Di(3-methylphenoxy)ethane
  • 1,2-Bis(3-methylphenoxy)ethane
  • 1,2-Bis(m-tolyloxy)ethane
  • 1,2-Di(m-tolyloxy)ethane
  • Ethylene glycol bis(m-tolyl ether)
  • NSC 117525
  • KS 232
  • 1-Methyl-3-[2-(3-methylphenoxy)ethoxy]benzene
  • 1,1′-[Ethane-1,2-diylbis(oxy)]bis(3-methylbenzene)

Work with 1,2-Bis(3′-methylphenoxy)ethane

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

2-(3-Methylphenoxy)ethanol13605-19-175 % similar 3-Phenoxytoluene3586-14-959 % similar 2-(3-Methylphenoxy)acetic acid1643-15-856 % similar 1,2-Diphenoxyethane104-66-554 % similar M-Xylene108-38-352 % similar 1,3-Diethoxybenzene2049-73-252 % similar 3-Methylphenyl acetate122-46-348 % similar 1,3-Bis(2-hydroxyethoxy)benzene102-40-948 % similar

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

Same formula

3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-1 4,4′-Bis(methoxymethyl)-1,1′-biphenyl3753-18-2 Bisphenol B77-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook