1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene

C141H152F6O5S3 — CID 157138704

IUPAC1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
SMILESCc1cc(S(=O)(=O)c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccccc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C18H22O2S.C17H14F6.2C17H20.C14H14O2S.C14H14O.C14H14S.C14H14.2C8H10/c1-11-7-17(8-12(2)15(11)5)21(19,20)18-9-13(3)16(6)14(4)10-18;1-11-3-7-13(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;1-13-8-10-15(11-9-13)17(3,4)16-7-5-6-14(2)12-16;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;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h7-10H,1-6H3;3-10H,1-2H3;2*5-12H,1-4H3;3-10H,1-2H3;2*3-10H,1-2H3;2-10H,11H2,1H3;2*3-6H,1-2H3
InChIKeyAJXXZFQMMOOWMG-UHFFFAOYSA-N
MW2136.95 g/mol
LogP39.22
Rot. Bonds16

About 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene

1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene (PubChem CID 157138704) has the molecular formula C141H152F6O5S3 and a molecular weight of 2136.95 g/mol. Its IUPAC name is 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
PubChem CID157138704
Molecular FormulaC141H152F6O5S3
Molecular Weight2136.95 g/mol
Exact Mass2135.07
IUPAC Name1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene
SMILESCc1cc(S(=O)(=O)c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccccc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C18H22O2S.C17H14F6.2C17H20.C14H14O2S.C14H14O.C14H14S.C14H14.2C8H10/c1-11-7-17(8-12(2)15(11)5)21(19,20)18-9-13(3)16(6)14(4)10-18;1-11-3-7-13(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;1-13-8-10-15(11-9-13)17(3,4)16-7-5-6-14(2)12-16;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;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h7-10H,1-6H3;3-10H,1-2H3;2*5-12H,1-4H3;3-10H,1-2H3;2*3-10H,1-2H3;2-10H,11H2,1H3;2*3-6H,1-2H3
InChIKeyAJXXZFQMMOOWMG-UHFFFAOYSA-N
XLogP39.22
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002136.95
LogP ≤ 539.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
2-(4-Methylcyclohexa-1,4-dien-1-yl)sulfanyl-10,11-bis[(4-methylphenyl)sulfanyl]-3,6,7-tris[[4-(trifluoromethoxy)phenyl]sulfanyl]triphenylene
CID 20661291
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964743
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964928
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964932
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965037
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21965085

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene (CID 157138704) is 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene is Cc1cc(S(=O)(=O)c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccccc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.
What is the InChIKey of 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
The InChIKey is AJXXZFQMMOOWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S.C17H14F6.2C17H20.C14H14O2S.C14H14O.C14H14S.C14H14.2C8H10/c1-11-7-17(8-12(2)15(11)5)21(19,20)18-9-13(3)16(6)14(4)10-18;1-11-3-7-13(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;1-13-8-10-15(11-9-13)17(3,4)16-7-5-6-14(2)12-16;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;1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7/h7-10H,1-6H3;3-10H,1-2H3;2*5-12H,1-4H3;3-10H,1-2H3;2*3-10H,1-2H3;2-10H,11H2,1H3;2*3-6H,1-2H3.
What are the key properties of 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene?
1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 2136.95 g/mol, XLogP of 39.22, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-3-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)sulfonylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).