1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene

C33H46F2O — CID 23297290

IUPAC1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2cc(F)c(-c3ccc(CCC4CCC(COC)CC4)cc3)c(F)c2)CC1
InChIInChI=1S/C33H46F2O/c1-3-4-24-5-7-25(8-6-24)13-16-29-21-31(34)33(32(35)22-29)30-19-17-27(18-20-30)10-9-26-11-14-28(15-12-26)23-36-2/h17-22,24-26,28H,3-16,23H2,1-2H3
InChIKeyZPGWIDLIFYGTIX-UHFFFAOYSA-N
MW496.73 g/mol
LogP9.56
Rot. Bonds11

About 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene

1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 23297290) has the molecular formula C33H46F2O and a molecular weight of 496.73 g/mol. Its IUPAC name is 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID23297290
Molecular FormulaC33H46F2O
Molecular Weight496.73 g/mol
Exact Mass496.35
IUPAC Name1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2cc(F)c(-c3ccc(CCC4CCC(COC)CC4)cc3)c(F)c2)CC1
InChIInChI=1S/C33H46F2O/c1-3-4-24-5-7-25(8-6-24)13-16-29-21-31(34)33(32(35)22-29)30-19-17-27(18-20-30)10-9-26-11-14-28(15-12-26)23-36-2/h17-22,24-26,28H,3-16,23H2,1-2H3
InChIKeyZPGWIDLIFYGTIX-UHFFFAOYSA-N
XLogP9.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.73
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
2-fluoro-4-[4-[4-(methoxymethyl)cyclohexyl]butyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 54397674
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080411
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium
CID 59931197
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene
CID 19781025
2-[2-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656593

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene (CID 23297290) is 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2cc(F)c(-c3ccc(CCC4CCC(COC)CC4)cc3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is ZPGWIDLIFYGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46F2O/c1-3-4-24-5-7-25(8-6-24)13-16-29-21-31(34)33(32(35)22-29)30-19-17-27(18-20-30)10-9-26-11-14-28(15-12-26)23-36-2/h17-22,24-26,28H,3-16,23H2,1-2H3.
What are the key properties of 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene?
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 496.73 g/mol, XLogP of 9.56, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 23297290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).