1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene

C260H247F9O22S3 — CID 158780928

IUPAC1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1ccccc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C29H22F6O2.C29H28O2.C26H22O2.2C26H30.C22H19F3O2.3C20H18O2.C14H14O4S.2C14H14O2S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24;1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-19-10-14-21(15-11-19)25(3,4)23-8-7-9-24(18-23)26(5,6)22-16-12-20(2)13-17-22;1-14-4-10-20(16(3)12-14)26-17-6-8-18(9-7-17)27-21-11-5-15(2)13-19(21)22(23,24)25;1-15-3-7-17(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;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;2*7-18H,1-6H3;4-13H,1-3H3;3*3-14H,1-2H3;3-8,15-16H,1-2H3;2*3-10H,1-2H3
InChIKeyIRBMLMKJUOWWHI-UHFFFAOYSA-N
MW3991.00 g/mol
LogP72.68
Rot. Bonds47

About 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene

1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 158780928) has the molecular formula C260H247F9O22S3 and a molecular weight of 3991.00 g/mol. Its IUPAC name is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
PubChem CID158780928
Molecular FormulaC260H247F9O22S3
Molecular Weight3991.00 g/mol
Exact Mass3987.72
IUPAC Name1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1ccccc1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C29H22F6O2.C29H28O2.C26H22O2.2C26H30.C22H19F3O2.3C20H18O2.C14H14O4S.2C14H14O2S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24;1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-19-10-14-21(15-11-19)25(3,4)23-8-7-9-24(18-23)26(5,6)22-16-12-20(2)13-17-22;1-14-4-10-20(16(3)12-14)26-17-6-8-18(9-7-17)27-21-11-5-15(2)13-19(21)22(23,24)25;1-15-3-7-17(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;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;2*7-18H,1-6H3;4-13H,1-3H3;3*3-14H,1-2H3;3-8,15-16H,1-2H3;2*3-10H,1-2H3
InChIKeyIRBMLMKJUOWWHI-UHFFFAOYSA-N
XLogP72.68
TPSA272.10 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds47
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003991.00
LogP ≤ 572.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene with MolForge

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Related Compounds

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
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
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-[4-(4-methoxy-2,3,5-triphenylphenyl)-2,3,6-triphenylphenoxy]phenyl]sulfonyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983602
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;1,1,2,2,3,3,4,4-octafluoro-4-[5-[4-[2-(2-methoxyethoxy)-4-(4-methoxy-3-methylphenyl)phenoxy]phenyl]sulfonyl-2-methylphenyl]butane-1-sulfonic acid
CID 91240566
1,1,2,2-Tetrafluoro-2-[3-[4-(4-methylphenyl)phenoxy]-5-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenoxy]ethanesulfonic acid
CID 140904199
1,1,2,2-Tetrafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfanylethanesulfonic acid
CID 141653360
1,1,2,2-Tetrafluoro-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfanylethanesulfonic acid
CID 141653368
Potassium 2-[2-[3,5-bis[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfanyl-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
CID 155636325
1-Fluoro-4-(4-fluorophenyl)sulfonylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene;4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol
CID 157120689
3-[[3-Hydroxy-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)phenyl]methyl]-5-methylphenol;3-[(3-hydroxyphenyl)methyl]phenol;2-(2-hydroxyphenyl)phenol;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol;[3-[(3-hydroxy-5-propoxyphenyl)methyl]-5-(2-methoxyethyl)phenyl] formate;perylene-1,12-diol;2-phenylphenol
CID 157248890

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;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene (CID 158780928) is 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene is Cc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(C)cc3)c2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3C(F)(F)F)cc2)c(C)c1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(Oc2cccc(Oc3cccc(C)c3)c2)c1.Cc1ccccc1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is IRBMLMKJUOWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.C29H28O2.C26H22O2.2C26H30.C22H19F3O2.3C20H18O2.C14H14O4S.2C14H14O2S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24;1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-19-10-14-21(15-11-19)25(3,4)23-8-7-9-24(18-23)26(5,6)22-16-12-20(2)13-17-22;1-14-4-10-20(16(3)12-14)26-17-6-8-18(9-7-17)27-21-11-5-15(2)13-19(21)22(23,24)25;1-15-3-7-17(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;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-7-3-5-9-13(11)17(15,16)14-10-6-4-8-12(14)2/h3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;2*7-18H,1-6H3;4-13H,1-3H3;3*3-14H,1-2H3;3-8,15-16H,1-2H3;2*3-10H,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;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 3991.00 g/mol, XLogP of 72.68, 47 rotatable bonds, 2 hydrogen bond donors, and 22 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;1,3-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;2,4-dimethyl-1-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenoxy]benzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 158780928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).