bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate

C165H165F6NO7S2 — CID 158157398

About bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate

bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate (PubChem CID 158157398) has the molecular formula C165H165F6NO7S2 and a molecular weight of 2452.26 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate.

Molecular Properties

• Compound Name: bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate
• PubChem CID: 158157398
• Molecular Formula: C165H165F6NO7S2
• Molecular Weight: 2452.26 g/mol
• Exact Mass: 2450.19
• IUPAC Name: bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate
• SMILES: Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
• InChI: InChI=1S/C17H14F6.C17H20.C15H15NO.C15H14O2.C15H14O.2C15H16.C14H14O2S.C14H14O.C14H14S.C14H14/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3,(H,16,17);3-10H,1-2H3;3-10H,1-2H3;2*3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3
• InChIKey: FVVYSLUATALNCX-UHFFFAOYSA-N
• XLogP: 44.40
• TPSA: 115.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2452.26
LogP ≤ 5	44.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate?

The IUPAC name of bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate (CID 158157398) is bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate.

What is the SMILES notation for bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate?

The canonical SMILES for bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.

What is the InChIKey of bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate?

The InChIKey is FVVYSLUATALNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6.C17H20.C15H15NO.C15H14O2.C15H14O.2C15H16.C14H14O2S.C14H14O.C14H14S.C14H14/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3,(H,16,17);3-10H,1-2H3;3-10H,1-2H3;2*3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3.

What are the key properties of bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate?

bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate has a molecular weight of 2452.26 g/mol, XLogP of 44.40, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methylphenyl)methanone;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(4-methylphenyl) 4-methylbenzoate is sourced from PubChem (CID 158157398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).