2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane

C26H39FO2 — CID 20656726

IUPAC2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(C3CCC(c4ccc(C)c(F)c4)CC3)OC2)CC1
InChIInChI=1S/C26H39FO2/c1-3-4-19-6-9-21(10-7-19)24-16-28-26(29-17-24)22-13-11-20(12-14-22)23-8-5-18(2)25(27)15-23/h5,8,15,19-22,24,26H,3-4,6-7,9-14,16-17H2,1-2H3
InChIKeyDXJUAECHKMCDMK-UHFFFAOYSA-N
MW402.59 g/mol
LogP7.00
Rot. Bonds5

About 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane

2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane (PubChem CID 20656726) has the molecular formula C26H39FO2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
PubChem CID20656726
Molecular FormulaC26H39FO2
Molecular Weight402.59 g/mol
Exact Mass402.29
IUPAC Name2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(C3CCC(c4ccc(C)c(F)c4)CC3)OC2)CC1
InChIInChI=1S/C26H39FO2/c1-3-4-19-6-9-21(10-7-19)24-16-28-26(29-17-24)22-13-11-20(12-14-22)23-8-5-18(2)25(27)15-23/h5,8,15,19-22,24,26H,3-4,6-7,9-14,16-17H2,1-2H3
InChIKeyDXJUAECHKMCDMK-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane with MolForge

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Related Compounds

2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
CID 20656727
2-[4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656713
CID 20632256
CID 20632256
5-(4-butylcyclohexyl)-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-1,3-dioxane
CID 20656876
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656739
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
carbonyl difluoride;difluoromethane;2-[4-(3,4-difluorophenyl)butyl]-5-propyl-1,3-dioxane;2-[4-[3-fluoro-4-[2-(3-fluorophenyl)ethyl]phenyl]cyclohexyl]-5-propyl-1,3-dioxane;2-[4-[2-(3-fluoro-4-methylphenyl)ethyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 91521254
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane (CID 20656726) is 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane is CCCC1CCC(C2COC(C3CCC(c4ccc(C)c(F)c4)CC3)OC2)CC1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
The InChIKey is DXJUAECHKMCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FO2/c1-3-4-19-6-9-21(10-7-19)24-16-28-26(29-17-24)22-13-11-20(12-14-22)23-8-5-18(2)25(27)15-23/h5,8,15,19-22,24,26H,3-4,6-7,9-14,16-17H2,1-2H3.
What are the key properties of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane?
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane has a molecular weight of 402.59 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 20656726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).