2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane

C25H30Cl2O2 — CID 20656744

IUPAC2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane
SMILESCCC1COC(C2CCC(c3ccc(-c4cc(Cl)c(C)c(Cl)c4)cc3)CC2)OC1
InChIInChI=1S/C25H30Cl2O2/c1-3-17-14-28-25(29-15-17)21-10-8-19(9-11-21)18-4-6-20(7-5-18)22-12-23(26)16(2)24(27)13-22/h4-7,12-13,17,19,21,25H,3,8-11,14-15H2,1-2H3
InChIKeyVYWJKKOTUXITRM-UHFFFAOYSA-N
MW433.42 g/mol
LogP7.64
Rot. Bonds4

About 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane

2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane (PubChem CID 20656744) has the molecular formula C25H30Cl2O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane
PubChem CID20656744
Molecular FormulaC25H30Cl2O2
Molecular Weight433.42 g/mol
Exact Mass432.16
IUPAC Name2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane
SMILESCCC1COC(C2CCC(c3ccc(-c4cc(Cl)c(C)c(Cl)c4)cc3)CC2)OC1
InChIInChI=1S/C25H30Cl2O2/c1-3-17-14-28-25(29-15-17)21-10-8-19(9-11-21)18-4-6-20(7-5-18)22-12-23(26)16(2)24(27)13-22/h4-7,12-13,17,19,21,25H,3,8-11,14-15H2,1-2H3
InChIKeyVYWJKKOTUXITRM-UHFFFAOYSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane with MolForge

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Related Compounds

5-but-3-enyl-2-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1,3-dioxane
CID 18997892
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
CID 20656727
2-[4-(4-chlorophenyl)cyclohexyl]-5-pent-4-enyl-1,3-dioxane
CID 18652901
CID 20632256
CID 20632256
(2R,4aR,8aR)-2-[4-(4-chloro-3,5-difluorophenyl)phenyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809309
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656739
5-but-3-enyl-2-[4-(4-ethynylphenyl)cyclohexyl]-1,3-dioxane
CID 19781307
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 139911116
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
2-[4-[4-[3,5-difluoro-4-(oxiran-2-yl)phenyl]phenyl]cyclohexyl]-5-propyloxane
CID 90179616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane?
The IUPAC name of 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane (CID 20656744) is 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane.
What is the SMILES notation for 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane?
The canonical SMILES for 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane is CCC1COC(C2CCC(c3ccc(-c4cc(Cl)c(C)c(Cl)c4)cc3)CC2)OC1.
What is the InChIKey of 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane?
The InChIKey is VYWJKKOTUXITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2O2/c1-3-17-14-28-25(29-15-17)21-10-8-19(9-11-21)18-4-6-20(7-5-18)22-12-23(26)16(2)24(27)13-22/h4-7,12-13,17,19,21,25H,3,8-11,14-15H2,1-2H3.
What are the key properties of 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane?
2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane has a molecular weight of 433.42 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,5-dichloro-4-methylphenyl)phenyl]cyclohexyl]-5-ethyl-1,3-dioxane is sourced from PubChem (CID 20656744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).