2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene

C239H240F12N12O35S2 — CID 161293810

About 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene

2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene (PubChem CID 161293810) has the molecular formula C239H240F12N12O35S2 and a molecular weight of 4132.71 g/mol. Its IUPAC name is 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
• PubChem CID: 161293810
• Molecular Formula: C239H240F12N12O35S2
• Molecular Weight: 4132.71 g/mol
• Exact Mass: 4129.66
• IUPAC Name: 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
• SMILES: CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=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.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(S(=O)O)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)O)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)O)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
• InChI: InChI=1S/C31H20N2O4.3C21H15F3N2O4.C16H15F3.C12H8N2O4.3C12H18.C11H12N2O4.C10H14.3C9H10O2.C9H12.2C8H10O2S.C8H10O/c1-32-27(34)21-13-11-17(15-23(21)29(32)36)31(18-12-14-22-24(16-18)30(37)33(2)28(22)35)25-9-5-3-7-19(25)20-8-4-6-10-26(20)31;3*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;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;3*1-7-8(2)10(4)12(6)11(5)9(7)3;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-7-5-9(3)10(4)6-8(7)2;2*1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9(10)11)7(2)5-6;1-7-4-5-8(2)9(3)6-7;1-6-3-7(2)5-8(4-6)11(9)10;1-6-3-4-8(11(9)10)7(2)5-6;1-6-3-4-8(9)7(2)5-6/h3-16H,1-2H3;3*4-9H,1-3H3;4-9H,1-3H3;3-4H,1-2H3;3*1-6H3;4-7H,3H2,1-2H3;5-6H,1-4H3;3*3-5H,1-2H3,(H,10,11);4-6H,1-3H3;2*3-5H,1-2H3,(H,9,10);3-5,9H,1-2H3
• InChIKey: VGSBBBAPUVYWBF-UHFFFAOYSA-N
• XLogP: 44.58
• TPSA: 658.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4132.71
LogP ≤ 5	44.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?

The IUPAC name of 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene (CID 161293810) is 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene.

What is the SMILES notation for 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?

The canonical SMILES for 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene is CN1C(=O)C2CC3C(=O)N(C)C(=O)C3C2C1=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.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(C(=O)O)c1.Cc1cc(C)cc(S(=O)O)c1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(C(=O)O)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(O)c(C)c1.Cc1ccc(S(=O)O)c(C)c1.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.

What is the InChIKey of 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?

The InChIKey is VGSBBBAPUVYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O4.3C21H15F3N2O4.C16H15F3.C12H8N2O4.3C12H18.C11H12N2O4.C10H14.3C9H10O2.C9H12.2C8H10O2S.C8H10O/c1-32-27(34)21-13-11-17(15-23(21)29(32)36)31(18-12-14-22-24(16-18)30(37)33(2)28(22)35)25-9-5-3-7-19(25)20-8-4-6-10-26(20)31;3*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;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17;3*1-7-8(2)10(4)12(6)11(5)9(7)3;1-12-8(14)4-3-5-7(6(4)10(12)16)11(17)13(2)9(5)15;1-7-5-9(3)10(4)6-8(7)2;2*1-6-3-7(2)5-8(4-6)9(10)11;1-6-3-4-8(9(10)11)7(2)5-6;1-7-4-5-8(2)9(3)6-7;1-6-3-7(2)5-8(4-6)11(9)10;1-6-3-4-8(11(9)10)7(2)5-6;1-6-3-4-8(9)7(2)5-6/h3-16H,1-2H3;3*4-9H,1-3H3;4-9H,1-3H3;3-4H,1-2H3;3*1-6H3;4-7H,3H2,1-2H3;5-6H,1-4H3;3*3-5H,1-2H3,(H,10,11);4-6H,1-3H3;2*3-5H,1-2H3,(H,9,10);3-5,9H,1-2H3.

What are the key properties of 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene?

2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene has a molecular weight of 4132.71 g/mol, XLogP of 44.58, 14 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylbenzenesulfinic acid;3,5-dimethylbenzenesulfinic acid;2,4-dimethylbenzoic acid;bis(3,5-dimethylbenzoic acid);4,10-dimethyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,4-dimethylphenol;2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tris(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione;tris(2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione);1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene is sourced from PubChem (CID 161293810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).