bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene

C163H162F6O8S3 — CID 157308130

IUPACbis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C)c1
InChIInChI=1S/C16H12F6.C16H18.2C15H14O.C15H16.C14H12O2S.C14H14O2S.2C14H14O.C14H14S.2C8H10/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-8H,1-2H3;5-10H,1-4H3;2*3-10H,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyBCSQQVXFVVCRBW-UHFFFAOYSA-N
MW2459.27 g/mol
LogP45.06
Rot. Bonds16

About bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene

bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene (PubChem CID 157308130) has the molecular formula C163H162F6O8S3 and a molecular weight of 2459.27 g/mol. Its IUPAC name is bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namebis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
PubChem CID157308130
Molecular FormulaC163H162F6O8S3
Molecular Weight2459.27 g/mol
Exact Mass2457.13
IUPAC Namebis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C)c1
InChIInChI=1S/C16H12F6.C16H18.2C15H14O.C15H16.C14H12O2S.C14H14O2S.2C14H14O.C14H14S.2C8H10/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-8H,1-2H3;5-10H,1-4H3;2*3-10H,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyBCSQQVXFVVCRBW-UHFFFAOYSA-N
XLogP45.06
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002459.27
LogP ≤ 545.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)phenyl]sulfonylphenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58658211
[4-(4-Methylphenyl)phenyl]-[4-[4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]methanone
CID 58690157
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
6-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenoxy]-4-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 58769499
3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]benzenesulfonic acid
CID 58795298
4-[4-[5-[2-Cyano-3-[4-[2-[4-(2-cyano-3-methylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-methylbenzoyl]-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 58795304
[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl] hydrogen sulfite
CID 58795320
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylsulfonylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]phenyl]methanone
CID 58795329
3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]benzenesulfonic acid
CID 58876495
5-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[3-[4-[4-(4-methylphenyl)sulfonylphenyl]benzoyl]benzoyl]phenyl]phenyl]sulfonylphenoxy]-3-sulfophenyl]propan-2-yl]-2-methoxybenzenesulfonic acid
CID 58947788

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene?
The IUPAC name of bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene (CID 157308130) is bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene?
The canonical SMILES for bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene is Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2c(c1)S(=O)(=O)c1cc(C)ccc1-2.Cc1cccc(C(=O)c2cccc(C)c2)c1.Cc1cccc(C)c1.
What is the InChIKey of bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene?
The InChIKey is BCSQQVXFVVCRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6.C16H18.2C15H14O.C15H16.C14H12O2S.C14H14O2S.2C14H14O.C14H14S.2C8H10/c1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-9-3-5-11-12-6-4-10(2)8-14(12)17(15,16)13(11)7-9;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h3-8H,1-2H3;5-10H,1-4H3;2*3-10H,1-2H3;3-10H,11H2,1-2H3;3-8H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;2*3-6H,1-2H3.
What are the key properties of bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene?
bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene has a molecular weight of 2459.27 g/mol, XLogP of 45.06, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;3,7-dimethyldibenzothiophene 5,5-dioxide;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).