1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene

C29H42F4O2 — CID 21353205

IUPAC1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
SMILESCCOc1ccc(OC(F)(F)C2CCC(C3CCC(C4CCC(CC)CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C29H42F4O2/c1-3-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(16-14-23)29(32,33)35-26-18-17-25(34-4-2)27(30)28(26)31/h17-24H,3-16H2,1-2H3
InChIKeyQPDROWHATNJQNZ-UHFFFAOYSA-N
MW498.65 g/mol
LogP9.16
Rot. Bonds8

About 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene

1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene (PubChem CID 21353205) has the molecular formula C29H42F4O2 and a molecular weight of 498.65 g/mol. Its IUPAC name is 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
PubChem CID21353205
Molecular FormulaC29H42F4O2
Molecular Weight498.65 g/mol
Exact Mass498.31
IUPAC Name1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
SMILESCCOc1ccc(OC(F)(F)C2CCC(C3CCC(C4CCC(CC)CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C29H42F4O2/c1-3-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(16-14-23)29(32,33)35-26-18-17-25(34-4-2)27(30)28(26)31/h17-24H,3-16H2,1-2H3
InChIKeyQPDROWHATNJQNZ-UHFFFAOYSA-N
XLogP9.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 134477175
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
CID 19792980
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747
4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenol
CID 141298262
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161576
2-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967587
5-[[4-[4-(3-ethylcyclopentyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 134437843
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 121354195
1-[difluoro-(4-pentylcyclohexyl)methoxy]-4-[7-[1-[7-[4-[difluoro-(4-pentylcyclohexyl)methoxy]-2,3-difluorophenoxy]heptoxy]-2,2,2-trifluoroethoxy]heptoxy]-2,3-difluorobenzene
CID 122542722
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene (CID 21353205) is 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene is CCOc1ccc(OC(F)(F)C2CCC(C3CCC(C4CCC(CC)CC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene?
The InChIKey is QPDROWHATNJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42F4O2/c1-3-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(16-14-23)29(32,33)35-26-18-17-25(34-4-2)27(30)28(26)31/h17-24H,3-16H2,1-2H3.
What are the key properties of 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene?
1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene has a molecular weight of 498.65 g/mol, XLogP of 9.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene is sourced from PubChem (CID 21353205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).