bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene

C192H204F6O12 — CID 157110503

IUPACbis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C33H32O4.C22H22O2.C22H22.C20H22O4.C19H18F6.C17H18O.C17H20.C16H18O.C16H18.C10H14/c1-21-7-9-25(19-23(21)3)31(34)36-29-15-11-27(12-16-29)33(5,6)28-13-17-30(18-14-28)37-32(35)26-10-8-22(2)24(4)20-26;1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;1-15-5-7-21(13-17(15)3)19-9-11-20(12-10-19)22-8-6-16(2)18(4)14-22;1-13-5-7-17(11-15(13)3)19(21)23-9-10-24-20(22)18-8-6-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-7-5-9(3)10(4)6-8(7)2/h7-20H,1-6H3;5-14H,1-4H3;5-14H,1-4H3;5-8,11-12H,9-10H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-6H,1-4H3
InChIKeyAGUHQEPFBLJUMH-UHFFFAOYSA-N
MW2817.72 g/mol
LogP51.59
Rot. Bonds26

About bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene

bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene (PubChem CID 157110503) has the molecular formula C192H204F6O12 and a molecular weight of 2817.72 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
PubChem CID157110503
Molecular FormulaC192H204F6O12
Molecular Weight2817.72 g/mol
Exact Mass2815.53
IUPAC Namebis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C33H32O4.C22H22O2.C22H22.C20H22O4.C19H18F6.C17H18O.C17H20.C16H18O.C16H18.C10H14/c1-21-7-9-25(19-23(21)3)31(34)36-29-15-11-27(12-16-29)33(5,6)28-13-17-30(18-14-28)37-32(35)26-10-8-22(2)24(4)20-26;1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;1-15-5-7-21(13-17(15)3)19-9-11-20(12-10-19)22-8-6-16(2)18(4)14-22;1-13-5-7-17(11-15(13)3)19(21)23-9-10-24-20(22)18-8-6-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-7-5-9(3)10(4)6-8(7)2/h7-20H,1-6H3;5-14H,1-4H3;5-14H,1-4H3;5-8,11-12H,9-10H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-6H,1-4H3
InChIKeyAGUHQEPFBLJUMH-UHFFFAOYSA-N
XLogP51.59
TPSA149.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.72
LogP ≤ 551.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene?
The IUPAC name of bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene (CID 157110503) is bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene.
What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene?
The canonical SMILES for bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C.
What is the InChIKey of bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene?
The InChIKey is AGUHQEPFBLJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O4.C22H22O2.C22H22.C20H22O4.C19H18F6.C17H18O.C17H20.C16H18O.C16H18.C10H14/c1-21-7-9-25(19-23(21)3)31(34)36-29-15-11-27(12-16-29)33(5,6)28-13-17-30(18-14-28)37-32(35)26-10-8-22(2)24(4)20-26;1-15-5-7-21(13-17(15)3)23-19-9-11-20(12-10-19)24-22-8-6-16(2)18(4)14-22;1-15-5-7-21(13-17(15)3)19-9-11-20(12-10-19)22-8-6-16(2)18(4)14-22;1-13-5-7-17(11-15(13)3)19(21)23-9-10-24-20(22)18-8-6-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-7-5-9(3)10(4)6-8(7)2/h7-20H,1-6H3;5-14H,1-4H3;5-14H,1-4H3;5-8,11-12H,9-10H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-6H,1-4H3.
What are the key properties of bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene?
bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene has a molecular weight of 2817.72 g/mol, XLogP of 51.59, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 157110503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).