3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)

C151H166F12N6O21Y2 — CID 159522376

About 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)

3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium) (PubChem CID 159522376) has the molecular formula C151H166F12N6O21Y2 and a molecular weight of 2806.80 g/mol. Its IUPAC name is 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium).

Molecular Properties

• Compound Name: 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)
• PubChem CID: 159522376
• Molecular Formula: C151H166F12N6O21Y2
• Molecular Weight: 2806.80 g/mol
• Exact Mass: 2805.00
• IUPAC Name: 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)
• SMILES: C.C.C.C.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)OCC2CO2)c1.Cc1cc(C)cc(C(=O)OCCC2(C)COC2)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.[Y].[Y]
• InChI: InChI=1S/3C21H15F3N2O4.C16H15F3.C15H20O3.C12H14O3.2C12H18.C9H10O2.C8H10O.4CH4.2Y/c3*1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-6-12(2)8-13(7-11)14(16)18-5-4-15(3)9-17-10-15;1-8-3-9(2)5-10(4-8)12(13)15-7-11-6-14-11;2*1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9)7(2)5-6;;;;;;/h3*4-9H,1-3H3;4-9H,1-3H3;6-8H,4-5,9-10H2,1-3H3;3-5,11H,6-7H2,1-2H3;2*1-6H3;3-5H,1-2H3,(H,10,11);3-5,9H,1-2H3;4*1H4
• InChIKey: MBYSKHWFIHZMGI-UHFFFAOYSA-N
• XLogP: 32.69
• TPSA: 356.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.80
LogP ≤ 5	32.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)?

The IUPAC name of 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium) (CID 159522376) is 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium).

What is the SMILES notation for 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)?

The canonical SMILES for 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium) is C.C.C.C.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)OCC2CO2)c1.Cc1cc(C)cc(C(=O)OCCC2(C)COC2)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(O)c(C)c1.[Y].[Y].

What is the InChIKey of 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)?

The InChIKey is MBYSKHWFIHZMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H15F3N2O4.C16H15F3.C15H20O3.C12H14O3.2C12H18.C9H10O2.C8H10O.4CH4.2Y/c3*1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-6-12(2)8-13(7-11)14(16)18-5-4-15(3)9-17-10-15;1-8-3-9(2)5-10(4-8)12(13)15-7-11-6-14-11;2*1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9)7(2)5-6;;;;;;/h3*4-9H,1-3H3;4-9H,1-3H3;6-8H,4-5,9-10H2,1-3H3;3-5,11H,6-7H2,1-2H3;2*1-6H3;3-5H,1-2H3,(H,10,11);3-5,9H,1-2H3;4*1H4;;.

What are the key properties of 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium)?

3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium) has a molecular weight of 2806.80 g/mol, XLogP of 32.69, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethylbenzoic acid;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;bis(1,2,3,4,5,6-hexamethylbenzene);methane;2-(3-methyloxetan-3-yl)ethyl 3,5-dimethylbenzoate;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);oxiran-2-ylmethyl 3,5-dimethylbenzoate;bis(yttrium) is sourced from PubChem (CID 159522376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).