chempirical

4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C23H28F2OCAS 189750-98-9358.47 g/mol

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Aryl halideEther

Properties

Molecular formula
C23H28F2O
Molar mass
358.47 g/mol
Exact mass
358.2108 Da
logP
7.10Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
189750-98-9
SMILES
CCC[C@H]1CC[C@H](c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1
InChIKey
IBFAIOMGVHPWRQ-QAQDUYKDNA-N
InChI
InChI=1/C23H28F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h10-17H,3-9H2,1-2H3/t16-,17-

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Names and synonyms

8 names
  • 1,1′-Biphenyl, 4-ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-
  • 1,1′-Biphenyl, 4-ethoxy-2,3-difluoro-4′-(4-propylcyclohexyl)-, trans-
  • CPY 3O2
  • 3-HBB(2F,3F)-O2
  • 3-Cy-ph-ph5-O2
  • CPPFF3O2
  • 3-Cy-phenyl-Ph5-O2
  • 3CPWO2

Work with 4-Ethoxy-2,3-difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

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-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene174350-05-166 % similar 1-Ethoxy-2,3-difluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene123560-48-562 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-157 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-854 % similar 1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene208709-55-154 % similar 4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-053 % similar 2,3′,4′,5′-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1′-biphenyl173837-35-951 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-049 % similar

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

Elsewhere

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