bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene

C199H256F12O4S — CID 158395012

About bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene

bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene (PubChem CID 158395012) has the molecular formula C199H256F12O4S and a molecular weight of 2972.28 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene
• PubChem CID: 158395012
• Molecular Formula: C199H256F12O4S
• Molecular Weight: 2972.28 g/mol
• Exact Mass: 2969.94
• IUPAC Name: bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene
• SMILES: CC1C(C)C2C=CC1C(C)C2C.CCC(C)C(C)CC.CCC(C)C1C=C(C)C(C)C(C)C1.CCC(C)C1CC(C)C(C)c2ccccc21.Cc1c(C)c(C(F)(F)F)c(C)c(C)c1C(F)(F)F.Cc1cc(C)c(C)c(C(F)(F)F)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2cccc(C)c2C)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
• InChI: InChI=1S/C19H21F3.C17H18O.C17H20.C16H18O2S.C16H18O.2C16H18.C16H24.C13H24.C12H12F6.C12H20.C11H13F3.C10H14.C8H18/c1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;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)19(17,18)16-8-6-12(2)14(4)10-16;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;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4;1-5-11(2)16-10-12(3)13(4)14-8-6-7-9-15(14)16;1-6-9(2)13-7-10(3)12(5)11(4)8-13;1-5-6(2)10(12(16,17)18)8(4)7(3)9(5)11(13,14)15;1-7-8(2)12-6-5-11(7)9(3)10(12)4;1-6-5-7(2)9(4)10(8(6)3)11(12,13)14;1-7-5-9(3)10(4)6-8(7)2;1-5-7(3)8(4)6-2/h6-11H,1-5H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;6-9,11-13,16H,5,10H2,1-4H3;7,9,11-13H,6,8H2,1-5H3;1-4H3;5-12H,1-4H3;5H,1-4H3;5-6H,1-4H3;7-8H,5-6H2,1-4H3
• InChIKey: GXLCFEFPWJHXDK-UHFFFAOYSA-N
• XLogP: 59.56
• TPSA: 60.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2972.28
LogP ≤ 5	59.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene?

The IUPAC name of bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene (CID 158395012) is bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene.

What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene?

The canonical SMILES for bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene is CC1C(C)C2C=CC1C(C)C2C.CCC(C)C(C)CC.CCC(C)C1C=C(C)C(C)C(C)C1.CCC(C)C1CC(C)C(C)c2ccccc21.Cc1c(C)c(C(F)(F)F)c(C)c(C)c1C(F)(F)F.Cc1cc(C)c(C)c(C(F)(F)F)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2cccc(C)c2C)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.

What is the InChIKey of bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene?

The InChIKey is GXLCFEFPWJHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3.C17H18O.C17H20.C16H18O2S.C16H18O.2C16H18.C16H24.C13H24.C12H12F6.C12H20.C11H13F3.C10H14.C8H18/c1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;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)19(17,18)16-8-6-12(2)14(4)10-16;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;1-11-8-9-15(10-13(11)3)16-7-5-6-12(2)14(16)4;1-5-11(2)16-10-12(3)13(4)14-8-6-7-9-15(14)16;1-6-9(2)13-7-10(3)12(5)11(4)8-13;1-5-6(2)10(12(16,17)18)8(4)7(3)9(5)11(13,14)15;1-7-8(2)12-6-5-11(7)9(3)10(12)4;1-6-5-7(2)9(4)10(8(6)3)11(12,13)14;1-7-5-9(3)10(4)6-8(7)2;1-5-7(3)8(4)6-2/h6-11H,1-5H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;6-9,11-13,16H,5,10H2,1-4H3;7,9,11-13H,6,8H2,1-5H3;1-4H3;5-12H,1-4H3;5H,1-4H3;5-6H,1-4H3;7-8H,5-6H2,1-4H3.

What are the key properties of bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene?

bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene has a molecular weight of 2972.28 g/mol, XLogP of 59.56, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,4-dimethylphenyl)methanone;4-butan-2-yl-1,2-dimethyl-1,2,3,4-tetrahydronaphthalene;3-butan-2-yl-1,5,6-trimethylcyclohexene;3,4-dimethylhexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;5,6,7,8-tetramethylbicyclo[2.2.2]oct-2-ene;1,2,4,5-tetramethyl-3,6-bis(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158395012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).