1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene

C176H170F6O13S2 — CID 158252511

IUPAC1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/3C20H18O2.C16H12F6.2C14H14O2S.3C14H14O.C14H14.2C8H10/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)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)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*3-14H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyGGWUHMHWLPOEAV-UHFFFAOYSA-N
MW2671.40 g/mol
LogP50.81
Rot. Bonds24

About 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene

1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 158252511) has the molecular formula C176H170F6O13S2 and a molecular weight of 2671.40 g/mol. Its IUPAC name is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene
PubChem CID158252511
Molecular FormulaC176H170F6O13S2
Molecular Weight2671.40 g/mol
Exact Mass2669.20
IUPAC Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/3C20H18O2.C16H12F6.2C14H14O2S.3C14H14O.C14H14.2C8H10/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)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)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*3-14H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3
InChIKeyGGWUHMHWLPOEAV-UHFFFAOYSA-N
XLogP50.81
TPSA151.35 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.40
LogP ≤ 550.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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

[2,4-Bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057104
[3,5-Bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057173
Diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057379
[2,6-Dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057425
[2,6-Bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057490
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
2-[3-[4-(1,1,2,2,2-Pentafluoroethylsulfonyl)phenoxy]phenyl]-1-[2-[3-[4-(1,1,2,2,2-pentafluoroethylsulfonyl)phenoxy]phenyl]-3-phenoxyphenoxy]-3-phenoxybenzene
CID 57070145
1-[3-[4-(1,1,2,2,2-Pentafluoroethylsulfonyl)phenoxy]phenyl]-4-[4-[3-[4-(1,1,2,2,2-pentafluoroethylsulfonyl)phenoxy]phenyl]-3-phenoxyphenoxy]-2-phenoxybenzene
CID 57307951
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene
CID 57679067
1,2,4,5-Tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[4-[2-methyl-3-[4-[4-(2,3,5,6-tetrafluoro-4-methylsulfonylphenoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 58185856
[2,5-Dimethoxy-6-[4-[(4-methylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-3-(4-methylsulfanylphenyl)phenyl] methanesulfonate
CID 58863954
6-[5-[4-[4-(2,4-Dimethoxyphenyl)-3-methoxyphenoxy]phenyl]sulfonyl-2-methylphenyl]-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane-1-sulfonic acid
CID 58983585

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene (CID 158252511) is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(Oc2cccc(C)c2)c1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 GGWUHMHWLPOEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18O2.C16H12F6.2C14H14O2S.3C14H14O.C14H14.2C8H10/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)21-19-10-5-11-20(14-19)22-18-9-4-7-16(2)13-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)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)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*3-14H,1-2H3;3-8H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene;1,3-xylene;1,4-xylene?
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 2671.40 g/mol, XLogP of 50.81, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;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 158252511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).