1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene

C28H34F4O2 — CID 70178197

IUPAC1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
SMILESCCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4ccc(OC(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C28H34F4O2/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-24(14-12-23)28(31,32)34-26-17-15-25(16-18-26)33-27(29)30/h11-22,27H,2-10H2,1H3
InChIKeyTXCUZXCVNWXSQO-UHFFFAOYSA-N
MW478.57 g/mol
LogP8.91
Rot. Bonds8

About 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene

1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene (PubChem CID 70178197) has the molecular formula C28H34F4O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
PubChem CID70178197
Molecular FormulaC28H34F4O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
SMILESCCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4ccc(OC(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C28H34F4O2/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-24(14-12-23)28(31,32)34-26-17-15-25(16-18-26)33-27(29)30/h11-22,27H,2-10H2,1H3
InChIKeyTXCUZXCVNWXSQO-UHFFFAOYSA-N
XLogP8.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene 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

4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
1-(difluoromethoxy)-4-[difluoro-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]methoxy]benzene
CID 70177031
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
2-[[4-(difluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 20653958
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
2-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870011
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene
CID 70177772
3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
CID 162547849
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene (CID 70178197) is 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene is CCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4ccc(OC(F)F)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene?
The InChIKey is TXCUZXCVNWXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4O2/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-13-24(14-12-23)28(31,32)34-26-17-15-25(16-18-26)33-27(29)30/h11-22,27H,2-10H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene?
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene has a molecular weight of 478.57 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene is sourced from PubChem (CID 70178197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).