1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene

C257H268Cl2F24O13S2 — CID 159518662

IUPAC1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene
SMILESCC1CCC(CC2CCC(C)CC2)CC1.Cc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C)c1C.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.[H][H].[H][H]
InChIInChI=1S/2C29H28O2.C20H18O2.C19H18F6.C17H14F6O2.2C17H14F6.C16H18.C15H14Cl2.C15H14O.C15H28.2C14H14O2S.C11H16.C9H12.2H2/c1-21-5-13-25(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;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;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;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;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;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;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;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-7-6-8(2)10(4)11(5)9(7)3;1-7-5-4-6-8(2)9(7)3;;/h2*5-20H,1-4H3;3-14H,1-2H3;5-10H,1-4H3;3-8,24-25H,1-2H3;2*3-10H,1-2H3;3-10H,11-12H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;12-15H,3-11H2,1-2H3;2*3-10H,1-2H3;6H,1-5H3;4-6H,1-3H3;2*1H
InChIKeyMBNJAUGRESLORB-UHFFFAOYSA-N
MW4155.95 g/mol
LogP75.66
Rot. Bonds37

About 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene

1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene (PubChem CID 159518662) has the molecular formula C257H268Cl2F24O13S2 and a molecular weight of 4155.95 g/mol. Its IUPAC name is 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene
PubChem CID159518662
Molecular FormulaC257H268Cl2F24O13S2
Molecular Weight4155.95 g/mol
Exact Mass4151.87
IUPAC Name1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene
SMILESCC1CCC(CC2CCC(C)CC2)CC1.Cc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C)c1C.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.[H][H].[H][H]
InChIInChI=1S/2C29H28O2.C20H18O2.C19H18F6.C17H14F6O2.2C17H14F6.C16H18.C15H14Cl2.C15H14O.C15H28.2C14H14O2S.C11H16.C9H12.2H2/c1-21-5-13-25(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;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;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;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;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;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;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;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-7-6-8(2)10(4)11(5)9(7)3;1-7-5-4-6-8(2)9(7)3;;/h2*5-20H,1-4H3;3-14H,1-2H3;5-10H,1-4H3;3-8,24-25H,1-2H3;2*3-10H,1-2H3;3-10H,11-12H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;12-15H,3-11H2,1-2H3;2*3-10H,1-2H3;6H,1-5H3;4-6H,1-3H3;2*1H
InChIKeyMBNJAUGRESLORB-UHFFFAOYSA-N
XLogP75.66
TPSA181.19 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004155.95
LogP ≤ 575.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene?
The IUPAC name of 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene (CID 159518662) is 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene.
What is the SMILES notation for 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene?
The canonical SMILES for 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene is CC1CCC(CC2CCC(C)CC2)CC1.Cc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(CCc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(C(c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)c1.Cc1cccc(C)c1C.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.Cc1cccc(S(=O)(=O)c2cccc(C)c2)c1.[H][H].[H][H].
What is the InChIKey of 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene?
The InChIKey is MBNJAUGRESLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28O2.C20H18O2.C19H18F6.C17H14F6O2.2C17H14F6.C16H18.C15H14Cl2.C15H14O.C15H28.2C14H14O2S.C11H16.C9H12.2H2/c1-21-5-13-25(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;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;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;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;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;1-11-5-3-7-13(9-11)15(16(18,19)20,17(21,22)23)14-8-4-6-12(2)10-14;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-10-3-5-12(8-14(10)16)7-13-6-4-11(2)15(17)9-13;1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;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;1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;1-7-6-8(2)10(4)11(5)9(7)3;1-7-5-4-6-8(2)9(7)3;;/h2*5-20H,1-4H3;3-14H,1-2H3;5-10H,1-4H3;3-8,24-25H,1-2H3;2*3-10H,1-2H3;3-10H,11-12H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;12-15H,3-11H2,1-2H3;2*3-10H,1-2H3;6H,1-5H3;4-6H,1-3H3;2*1H.
What are the key properties of 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene?
1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene has a molecular weight of 4155.95 g/mol, XLogP of 75.66, 37 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenoxy)benzene;2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;1-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-3-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone;molecular hydrogen;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethylbenzene is sourced from PubChem (CID 159518662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).