4-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl

C₂₃H₃₀CAS 84540-37-4306.49 g/mol

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Properties

Molecular formula: C₂₃H₃₀
Molar mass: 306.49 g/mol
Exact mass: 306.2348 Da
logP: 6.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5
Stereocentres: r, sin SMILES atom order

Identifiers

CAS number

84540-37-4

SMILES

CCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)cc2)CC1

InChIKey

DOALOUQODWWGEZ-XUTJKUGGNA-N

InChI

InChI=1/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3/t19-,21-

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Names and synonyms

9 names

1,1′-Biphenyl, 4-ethyl-4′-(trans-4-propylcyclohexyl)-
1,1′-Biphenyl, 4-ethyl-4′-(4-propylcyclohexyl)-, trans-
4-Ethyl-4′-(trans-4-propylcyclohexyl)biphenyl
BCH 32
3-HBB-2
CPP-3-2
3-Cy-ph-ph-2
trans-4-(4-Propylcyclohexyl)-4′-ethyl-1,1′-biphenyl
3CPP2

Work with 4-Ethyl-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

4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-680 % similar 4-Fluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl87260-24-067 % similar 3,4-Difluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl85312-59-060 % similar 3,4,5-Trifluoro-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl132123-39-859 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-658 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-558 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-555 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-755 % similar

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

Elsewhere

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