1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

C24H35F3O2 — CID 22908550

IUPAC1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCCCC1CCC(CCC2(O)CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O2/c1-2-3-18-4-6-19(7-5-18)12-15-23(28)16-13-21(14-17-23)20-8-10-22(11-9-20)29-24(25,26)27/h8-11,18-19,21,28H,2-7,12-17H2,1H3
InChIKeyZQTXNYKNFXNNKT-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.36
Rot. Bonds7

About 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol

1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 22908550) has the molecular formula C24H35F3O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID22908550
Molecular FormulaC24H35F3O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCCCC1CCC(CCC2(O)CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3O2/c1-2-3-18-4-6-19(7-5-18)12-15-23(28)16-13-21(14-17-23)20-8-10-22(11-9-20)29-24(25,26)27/h8-11,18-19,21,28H,2-7,12-17H2,1H3
InChIKeyZQTXNYKNFXNNKT-UHFFFAOYSA-N
XLogP7.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
9-pentyl-3-[4-(trifluoromethoxy)phenyl]spiro[5.5]undecane
CID 15201511
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
CID 70846462
1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 134257812
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-(4-heptylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864922
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19746989
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
[4-(trifluoromethoxy)phenyl] 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 71436680
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol (CID 22908550) is 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is CCCC1CCC(CCC2(O)CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is ZQTXNYKNFXNNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O2/c1-2-3-18-4-6-19(7-5-18)12-15-23(28)16-13-21(14-17-23)20-8-10-22(11-9-20)29-24(25,26)27/h8-11,18-19,21,28H,2-7,12-17H2,1H3.
What are the key properties of 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 412.54 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 22908550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).