bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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

C148H193F3O5S — CID 157473344

About bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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

bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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 (PubChem CID 157473344) has the molecular formula C148H193F3O5S and a molecular weight of 2141.23 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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.

Molecular Properties

• Compound Name: bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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
• PubChem CID: 157473344
• Molecular Formula: C148H193F3O5S
• Molecular Weight: 2141.23 g/mol
• Exact Mass: 2139.45
• IUPAC Name: bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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
• SMILES: CC1CCC(C2CCC(C)C(C)C2)CC1C.CCC(C)C1(C)CC(C)C(C)c2ccccc21.CCC(C)C1C=C(C)C(C)C(C)C1.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2cccc(C)c2C)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/C19H21F3.2C17H18O.C17H20.C17H26.C16H18O2S.C16H18O.C16H30.C13H24/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;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-6-13(3)17(5)11-12(2)14(4)15-9-7-8-10-16(15)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;1-6-9(2)13-7-10(3)12(5)11(4)8-13/h6-11H,1-5H3;2*5-10H,1-4H3;5-10H,11H2,1-4H3;7-10,12-14H,6,11H2,1-5H3;5-10H,1-4H3;5-10H,1-4H3;11-16H,5-10H2,1-4H3;7,9,11-13H,6,8H2,1-5H3
• InChIKey: BVHKSTOFHPCPSV-UHFFFAOYSA-N
• XLogP: 41.60
• TPSA: 77.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2141.23
LogP ≤ 5	41.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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?

The IUPAC name of bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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 (CID 157473344) is bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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.

What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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?

The canonical SMILES for bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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 is CC1CCC(C2CCC(C)C(C)C2)CC1C.CCC(C)C1(C)CC(C)C(C)c2ccccc21.CCC(C)C1C=C(C)C(C)C(C)C1.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2cccc(C)c2C)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;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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?

The InChIKey is BVHKSTOFHPCPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3.2C17H18O.C17H20.C17H26.C16H18O2S.C16H18O.C16H30.C13H24/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;1-11-8-9-15(10-13(11)3)17(18)16-7-5-6-12(2)14(16)4;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-6-13(3)17(5)11-12(2)14(4)15-9-7-8-10-16(15)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;1-6-9(2)13-7-10(3)12(5)11(4)8-13/h6-11H,1-5H3;2*5-10H,1-4H3;5-10H,11H2,1-4H3;7-10,12-14H,6,11H2,1-5H3;5-10H,1-4H3;5-10H,1-4H3;11-16H,5-10H2,1-4H3;7,9,11-13H,6,8H2,1-5H3.

What are the key properties of bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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?

bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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 has a molecular weight of 2141.23 g/mol, XLogP of 41.60, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,4-dimethylphenyl)methanone;3-butan-2-yl-1,5,6-trimethylcyclohexene;4-butan-2-yl-1,2,4-trimethyl-2,3-dihydro-1H-naphthalene;4-(3,4-dimethylcyclohexyl)-1,2-dimethylcyclohexane;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanone;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 is sourced from PubChem (CID 157473344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).