chempirical

1,1′-Oxybis[4-(methoxymethyl)benzene]

C16H18O3CAS 2509-26-4258.32 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C16H18O3
Molar mass
258.32 g/mol
Exact mass
258.1256 Da
Density
1.1015 g/mL (at 20 °C)
Boiling point
158–161 °C (at 2 Torr)
logP
3.77Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
2509-26-4
SMILES
COCc1ccc(Oc2ccc(COC)cc2)cc1
InChIKey
BMWBYLGWPWDACF-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O3/c1-17-11-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12-18-2/h3-10H,11-12H2,1-2H3

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

Names and synonyms

5 names
  • Benzene, 1,1′-oxybis[4-(methoxymethyl)-
  • Ether, bis(α-methoxy-p-tolyl)
  • 4,4′-Bis(methoxymethyl)diphenyl ether
  • 4,4′-Dimethoxymethyldiphenyl ether
  • 1-(Methoxymethyl)-4-[4-(methoxymethyl)phenoxy]benzene

Work with 1,1′-Oxybis[4-(methoxymethyl)benzene]

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

1,4-Bis(methoxymethyl)benzene6770-38-375 % similar 4,4′-Bis(methoxymethyl)-1,1′-biphenyl3753-18-265 % similar Benzyl methyl ether538-86-358 % similar 1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-046 % similar 4,4'-Oxydianiline101-80-440 % similar 4-Phenoxybenzenemethanamine107622-80-040 % similar 1,1′-Oxybis[4-methylbenzene]1579-40-440 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-140 % similar

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

Elsewhere

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