bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene

C83H89F3O4 — CID 157348839

About bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene (PubChem CID 157348839) has the molecular formula C83H89F3O4 and a molecular weight of 1207.61 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-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;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene
• PubChem CID: 157348839
• Molecular Formula: C83H89F3O4
• Molecular Weight: 1207.61 g/mol
• Exact Mass: 1206.67
• IUPAC Name: bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene
• SMILES: Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C
• InChI: InChI=1S/C31H32O2.C19H21F3.C17H18O.C16H18O/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30;1-12-6-8-16(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;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h7-20H,1-6H3;6-11H,1-5H3;5-10H,1-4H3;5-10H,1-4H3
• InChIKey: BHHFYNAPIJANQM-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.61
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-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;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene (CID 157348839) is bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-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;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-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;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene is Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.

What is the InChIKey of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene?

The InChIKey is BHHFYNAPIJANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2.C19H21F3.C17H18O.C16H18O/c1-21-7-13-29(19-23(21)3)32-27-15-9-25(10-16-27)31(5,6)26-11-17-28(18-12-26)33-30-14-8-22(2)24(4)20-30;1-12-6-8-16(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;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h7-20H,1-6H3;6-11H,1-5H3;5-10H,1-4H3;5-10H,1-4H3.

What are the key properties of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene?

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene has a molecular weight of 1207.61 g/mol, XLogP of 23.48, 12 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-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 157348839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).