2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene

C150H160F6O16S2 — CID 158689826

IUPAC2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESC.C.C.C.C.C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C31H26F6O2.2C26H22O4S.C16H18O2.2C15H16O2.C15H16.6CH4/c1-19-5-15-27(21(3)17-19)38-24-11-7-22(8-12-24)29(4,31(35,36)37)23-9-13-25(14-10-23)39-28-16-6-20(2)18-26(28)30(32,33)34;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)29-21-9-13-25(14-10-21)31(27,28)26-15-11-22(12-16-26)30-24-8-4-6-20(2)18-24;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;2*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;;;;;;/h5-18H,1-4H3;2*3-18H,1-2H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;6*1H4
InChIKeyIGEYNFVOGWQYMU-UHFFFAOYSA-N
MW2397.04 g/mol
LogP42.43
Rot. Bonds33

About 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene

2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene (PubChem CID 158689826) has the molecular formula C150H160F6O16S2 and a molecular weight of 2397.04 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
PubChem CID158689826
Molecular FormulaC150H160F6O16S2
Molecular Weight2397.04 g/mol
Exact Mass2395.11
IUPAC Name2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESC.C.C.C.C.C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C31H26F6O2.2C26H22O4S.C16H18O2.2C15H16O2.C15H16.6CH4/c1-19-5-15-27(21(3)17-19)38-24-11-7-22(8-12-24)29(4,31(35,36)37)23-9-13-25(14-10-23)39-28-16-6-20(2)18-26(28)30(32,33)34;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)29-21-9-13-25(14-10-21)31(27,28)26-15-11-22(12-16-26)30-24-8-4-6-20(2)18-24;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;2*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;;;;;;/h5-18H,1-4H3;2*3-18H,1-2H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;6*1H4
InChIKeyIGEYNFVOGWQYMU-UHFFFAOYSA-N
XLogP42.43
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.04
LogP ≤ 542.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene (CID 158689826) is 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene is C.C.C.C.C.C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(OCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is IGEYNFVOGWQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6O2.2C26H22O4S.C16H18O2.2C15H16O2.C15H16.6CH4/c1-19-5-15-27(21(3)17-19)38-24-11-7-22(8-12-24)29(4,31(35,36)37)23-9-13-25(14-10-23)39-28-16-6-20(2)18-26(28)30(32,33)34;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-5-3-7-23(17-19)29-21-9-13-25(14-10-21)31(27,28)26-15-11-22(12-16-26)30-24-8-4-6-20(2)18-24;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;2*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;;;;;;/h5-18H,1-4H3;2*3-18H,1-2H3;3-10H,11-12H2,1-2H3;2*3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;6*1H4.
What are the key properties of 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene?
2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 2397.04 g/mol, XLogP of 42.43, 33 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-[1,1,1-trifluoro-2-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene;methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene);1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 158689826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).