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

C20H29FO2 — CID 20656727

IUPAC2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(C)c(F)c3)CC2)OC1
InChIInChI=1S/C20H29FO2/c1-3-4-15-12-22-20(23-13-15)17-9-7-16(8-10-17)18-6-5-14(2)19(21)11-18/h5-6,11,15-17,20H,3-4,7-10,12-13H2,1-2H3
InChIKeyQKVKNZFRFYAXDF-UHFFFAOYSA-N
MW320.45 g/mol
LogP5.20
Rot. Bonds4

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

2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane (PubChem CID 20656727) has the molecular formula C20H29FO2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
PubChem CID20656727
Molecular FormulaC20H29FO2
Molecular Weight320.45 g/mol
Exact Mass320.22
IUPAC Name2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(C)c(F)c3)CC2)OC1
InChIInChI=1S/C20H29FO2/c1-3-4-15-12-22-20(23-13-15)17-9-7-16(8-10-17)18-6-5-14(2)19(21)11-18/h5-6,11,15-17,20H,3-4,7-10,12-13H2,1-2H3
InChIKeyQKVKNZFRFYAXDF-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
CID 20632256
CID 20632256
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656739
5-butyl-2-[4-[3-fluoro-4-(methoxymethyl)phenyl]cyclohexyl]-1,3-dioxane
CID 67571085
5-butyl-2-[4-[4-[3-[3-[4-[4-(5-butyl-1,3-dioxan-2-yl)cyclohexyl]-2-fluorophenyl]propoxy]propyl]-3-fluorophenyl]cyclohexyl]-1,3-dioxane
CID 140976186
5-nonyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 150918398
2-[4-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656717
2-[4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656713
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
2-[4-[4-[difluoro-[3-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656808
8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 58660379
5-[(E)-but-2-enyl]-2-[4-(3,4-difluorophenyl)cyclohexyl]-1,3-dioxane
CID 67741105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane (CID 20656727) is 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(c3ccc(C)c(F)c3)CC2)OC1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The InChIKey is QKVKNZFRFYAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FO2/c1-3-4-15-12-22-20(23-13-15)17-9-7-16(8-10-17)18-6-5-14(2)19(21)11-18/h5-6,11,15-17,20H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane?
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane has a molecular weight of 320.45 g/mol, XLogP of 5.20, 4 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-propyl-1,3-dioxane is sourced from PubChem (CID 20656727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).