1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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

C156H156F6O5S2 — CID 157140609

IUPAC1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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
SMILESCC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H18O2.C20H18.C16H12F6.C16H18.C15H16.C14H14O2S.C14H14O.C14H14S.C13H10.C8H10.2C2H6/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-9-3-5-11(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;1-12-3-7-14(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-4-3-5-8(2)6-7;2*1-2/h3-14H,1-2H3;3-14H,1-2H3;3-8H,1-2H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-8H,9H2;3-6H,1-2H3;2*1-2H3
InChIKeyAKDJBTUWAOCXHK-UHFFFAOYSA-N
MW2289.08 g/mol
LogP44.19
Rot. Bonds14

About 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 (PubChem CID 157140609) has the molecular formula C156H156F6O5S2 and a molecular weight of 2289.08 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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
PubChem CID157140609
Molecular FormulaC156H156F6O5S2
Molecular Weight2289.08 g/mol
Exact Mass2287.13
IUPAC Name1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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
SMILESCC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H18O2.C20H18.C16H12F6.C16H18.C15H16.C14H14O2S.C14H14O.C14H14S.C13H10.C8H10.2C2H6/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-9-3-5-11(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;1-12-3-7-14(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-4-3-5-8(2)6-7;2*1-2/h3-14H,1-2H3;3-14H,1-2H3;3-8H,1-2H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-8H,9H2;3-6H,1-2H3;2*1-2H3
InChIKeyAKDJBTUWAOCXHK-UHFFFAOYSA-N
XLogP44.19
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002289.08
LogP ≤ 544.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 with MolForge

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Bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 (CID 157140609) is 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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.
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 is CC.CC.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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?
The InChIKey is AKDJBTUWAOCXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2.C20H18.C16H12F6.C16H18.C15H16.C14H14O2S.C14H14O.C14H14S.C13H10.C8H10.2C2H6/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-9-3-5-11(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;1-12-3-7-14(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7-4-3-5-8(2)6-7;2*1-2/h3-14H,1-2H3;3-14H,1-2H3;3-8H,1-2H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-8H,9H2;3-6H,1-2H3;2*1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 has a molecular weight of 2289.08 g/mol, XLogP of 44.19, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;ethane;9H-fluorene;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 is sourced from PubChem (CID 157140609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).