2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene

C46H52F6O3 — CID 139813623

IUPAC2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCC1CCC(c2ccc(Cc3cc(COCC(F)(F)F)ccc3Oc3ccc(COCC(F)(F)F)cc3Cc3ccc(C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C46H52F6O3/c1-31-3-13-37(14-4-31)39-17-7-33(8-18-39)23-41-25-35(27-53-29-45(47,48)49)11-21-43(41)55-44-22-12-36(28-54-30-46(50,51)52)26-42(44)24-34-9-19-40(20-10-34)38-15-5-32(2)6-16-38/h7-12,17-22,25-26,31-32,37-38H,3-6,13-16,23-24,27-30H2,1-2H3
InChIKeyDJVBIRIEPMVAAA-UHFFFAOYSA-N
MW766.91 g/mol
LogP13.41
Rot. Bonds14

About 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene

2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 139813623) has the molecular formula C46H52F6O3 and a molecular weight of 766.91 g/mol. Its IUPAC name is 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID139813623
Molecular FormulaC46H52F6O3
Molecular Weight766.91 g/mol
Exact Mass766.38
IUPAC Name2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCC1CCC(c2ccc(Cc3cc(COCC(F)(F)F)ccc3Oc3ccc(COCC(F)(F)F)cc3Cc3ccc(C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C46H52F6O3/c1-31-3-13-37(14-4-31)39-17-7-33(8-18-39)23-41-25-35(27-53-29-45(47,48)49)11-21-43(41)55-44-22-12-36(28-54-30-46(50,51)52)26-42(44)24-34-9-19-40(20-10-34)38-15-5-32(2)6-16-38/h7-12,17-22,25-26,31-32,37-38H,3-6,13-16,23-24,27-30H2,1-2H3
InChIKeyDJVBIRIEPMVAAA-UHFFFAOYSA-N
XLogP13.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)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

2-[(4-methylphenyl)methyl]-1-[2-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene
CID 139813203
4-butyl-1-[4-butyl-2-[[4-(4-butylcyclohexyl)phenyl]methyl]phenoxy]-2-[[4-(4-butylcyclohexyl)phenyl]methyl]benzene
CID 70529669
2-[[4-(4-ethylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-ethylcyclohexyl)phenyl]methyl]-4-pentylphenoxy]-4-pentylbenzene
CID 70527987
4-hexoxy-1-[4-hexoxy-2-[[4-(4-pentylcyclohexyl)phenyl]methyl]phenoxy]-2-[[4-(4-pentylcyclohexyl)phenyl]methyl]benzene
CID 70528018
1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 91076031
1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711741
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]-2,3-bis(trifluoromethyl)benzene
CID 154519551
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
1-(2,2-diethylbutoxy)-2-ethyl-4-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 158236993

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene (CID 139813623) is 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene is CC1CCC(c2ccc(Cc3cc(COCC(F)(F)F)ccc3Oc3ccc(COCC(F)(F)F)cc3Cc3ccc(C4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is DJVBIRIEPMVAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52F6O3/c1-31-3-13-37(14-4-31)39-17-7-33(8-18-39)23-41-25-35(27-53-29-45(47,48)49)11-21-43(41)55-44-22-12-36(28-54-30-46(50,51)52)26-42(44)24-34-9-19-40(20-10-34)38-15-5-32(2)6-16-38/h7-12,17-22,25-26,31-32,37-38H,3-6,13-16,23-24,27-30H2,1-2H3.
What are the key properties of 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene?
2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 766.91 g/mol, XLogP of 13.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylcyclohexyl)phenyl]methyl]-1-[2-[[4-(4-methylcyclohexyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)phenoxy]-4-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 139813623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).