2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole

C105H95F3N4O6 — CID 158001057

IUPAC2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2nc3cc(C)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(C)cc3o2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(-c2nc3cc(C)ccc3o2)c1.Cc1cccc(-c2nc3ccc(C)cc3o2)c1
InChIInChI=1S/C29H28O2.C16H15F3.4C15H13NO/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15;1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-9-11(2)6-7-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h5-20H,1-4H3;4-9H,1-3H3;4*3-9H,1-2H3
InChIKeyFDSXDFBQZWUVGL-UHFFFAOYSA-N
MW1565.93 g/mol
LogP29.96
Rot. Bonds11

About 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 158001057) has the molecular formula C105H95F3N4O6 and a molecular weight of 1565.93 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID158001057
Molecular FormulaC105H95F3N4O6
Molecular Weight1565.93 g/mol
Exact Mass1564.72
IUPAC Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2nc3cc(C)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(C)cc3o2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(-c2nc3cc(C)ccc3o2)c1.Cc1cccc(-c2nc3ccc(C)cc3o2)c1
InChIInChI=1S/C29H28O2.C16H15F3.4C15H13NO/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15;1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-9-11(2)6-7-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h5-20H,1-4H3;4-9H,1-3H3;4*3-9H,1-2H3
InChIKeyFDSXDFBQZWUVGL-UHFFFAOYSA-N
XLogP29.96
TPSA122.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.93
LogP ≤ 529.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole (CID 158001057) is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2nc3cc(C)ccc3o2)cc1.Cc1ccc(-c2nc3ccc(C)cc3o2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(-c2nc3cc(C)ccc3o2)c1.Cc1cccc(-c2nc3ccc(C)cc3o2)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is FDSXDFBQZWUVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C16H15F3.4C15H13NO/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15;1-10-3-6-12(7-4-10)15-16-13-8-5-11(2)9-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-9-11(2)6-7-14(13)17-15;1-10-4-3-5-12(8-10)15-16-13-7-6-11(2)9-14(13)17-15/h5-20H,1-4H3;4-9H,1-3H3;4*3-9H,1-2H3.
What are the key properties of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole?
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 1565.93 g/mol, XLogP of 29.96, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;5-methyl-2-(3-methylphenyl)-1,3-benzoxazole;5-methyl-2-(4-methylphenyl)-1,3-benzoxazole;6-methyl-2-(3-methylphenyl)-1,3-benzoxazole;6-methyl-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 158001057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).