bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)

C107H130F6O3Si2 — CID 158343822

IUPACbis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)
SMILESCC.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([Si](C)(C)O[Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C20H30OSi2.C19H18F6.C17H18O.C17H20.C16H18O.2C8H10.C2H6/c1-15-9-11-19(13-17(15)3)22(5,6)21-23(7,8)20-12-10-16(2)18(4)14-20;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;2*1-7-5-3-4-6-8(7)2;1-2/h9-14H,1-8H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*3-6H,1-2H3;1-2H3
InChIKeyGRMFXWKVYLKJJO-UHFFFAOYSA-N
MW1634.37 g/mol
LogP29.80
Rot. Bonds12

About bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) (PubChem CID 158343822) has the molecular formula C107H130F6O3Si2 and a molecular weight of 1634.37 g/mol. Its IUPAC name is bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene).

Molecular Properties

Compound Namebis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)
PubChem CID158343822
Molecular FormulaC107H130F6O3Si2
Molecular Weight1634.37 g/mol
Exact Mass1632.95
IUPAC Namebis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)
SMILESCC.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([Si](C)(C)O[Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C20H30OSi2.C19H18F6.C17H18O.C17H20.C16H18O.2C8H10.C2H6/c1-15-9-11-19(13-17(15)3)22(5,6)21-23(7,8)20-12-10-16(2)18(4)14-20;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;2*1-7-5-3-4-6-8(7)2;1-2/h9-14H,1-8H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*3-6H,1-2H3;1-2H3
InChIKeyGRMFXWKVYLKJJO-UHFFFAOYSA-N
XLogP29.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms118
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001634.37
LogP ≤ 529.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)?
The IUPAC name of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) (CID 158343822) is bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene).
What is the SMILES notation for bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)?
The canonical SMILES for bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) is CC.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([Si](C)(C)O[Si](C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)?
The InChIKey is GRMFXWKVYLKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30OSi2.C19H18F6.C17H18O.C17H20.C16H18O.2C8H10.C2H6/c1-15-9-11-19(13-17(15)3)22(5,6)21-23(7,8)20-12-10-16(2)18(4)14-20;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;2*1-7-5-3-4-6-8(7)2;1-2/h9-14H,1-8H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*3-6H,1-2H3;1-2H3.
What are the key properties of bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene)?
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) has a molecular weight of 1634.37 g/mol, XLogP of 29.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;(3,4-dimethylphenyl)-[(3,4-dimethylphenyl)-dimethylsilyl]oxy-dimethylsilane;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;ethane;bis(1,2-xylene) is sourced from PubChem (CID 158343822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).