chempirical

1,2-Bis(4-methylphenyl)ethane

C16H18CAS 538-39-6210.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H18
Molar mass
210.32 g/mol
Exact mass
210.1409 Da
Melting point
85 °C
Boiling point
170–180 °C (at 15 Torr)
logP
4.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
538-39-6
SMILES
Cc1ccc(CCc2ccc(C)cc2)cc1
InChIKey
XCCQFUHBIRHLQT-UHFFFAOYSA-N
InChI
InChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

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Names and synonyms

12 names
  • Benzene, 1,1′-(1,2-ethanediyl)bis[4-methyl-
  • Bibenzyl, 4,4′-dimethyl-
  • 1,1′-(1,2-Ethanediyl)bis[4-methylbenzene]
  • p,p′-Dimethylbibenzyl
  • 4,4′-Dimethylbibenzyl
  • 4,4′-Dimethyldibenzyl
  • Sym-Di-p-tolylethane
  • α,β-Di-p-tolylethane
  • 1,2-Di-p-tolylethane
  • 1,2-Di(p-methylphenyl)ethane
  • 1,2-Bis(p-methylphenyl)ethane
  • 1-Methyl-4-[2-(4-methylphenyl)ethyl]benzene

Work with 1,2-Bis(4-methylphenyl)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

4-Methylphenethylamine3261-62-965 % similar 4-Methylbenzeneethanol699-02-565 % similar P-Xylene106-42-364 % similar 4-Ethyltoluene622-96-863 % similar 4-Methylbenzyl bromide104-81-460 % similar 4-Methylbenzyl chloride104-82-560 % similar 4-Methylbenzylamine104-84-760 % similar 4-Methylbenzyl mercaptan4498-99-160 % similar

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

Same formula

1,1-Di-p-tolylethane530-45-0

Elsewhere

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