1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene

C22H25F3O — CID 67779004

IUPAC1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCCC1CCC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3O/c1-2-16-3-7-18(8-4-16)19-9-13-21(14-10-19)26-15-17-5-11-20(12-6-17)22(23,24)25/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3
InChIKeyJACVTJVBLFIDHV-UHFFFAOYSA-N
MW362.44 g/mol
LogP6.97
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene

1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 67779004) has the molecular formula C22H25F3O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID67779004
Molecular FormulaC22H25F3O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCCC1CCC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3O/c1-2-16-3-7-18(8-4-16)19-9-13-21(14-10-19)26-15-17-5-11-20(12-6-17)22(23,24)25/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3
InChIKeyJACVTJVBLFIDHV-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-[[4-(4-ethylcyclohexyl)phenoxy]methyl]-2,3,4-trifluorobenzene
CID 54334735
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene (CID 67779004) is 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene is CCC1CCC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is JACVTJVBLFIDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3O/c1-2-16-3-7-18(8-4-16)19-9-13-21(14-10-19)26-15-17-5-11-20(12-6-17)22(23,24)25/h5-6,9-14,16,18H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 362.44 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 67779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).