[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate

C192H208O28S6 — CID 160546598

About [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate

[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate (PubChem CID 160546598) has the molecular formula C192H208O28S6 and a molecular weight of 3156.15 g/mol. Its IUPAC name is [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate.

Molecular Properties

• Compound Name: [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate
• PubChem CID: 160546598
• Molecular Formula: C192H208O28S6
• Molecular Weight: 3156.15 g/mol
• Exact Mass: 3153.32
• IUPAC Name: [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate
• SMILES: CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1C(C)C.CCc1cc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)ccc1OCC=C(C)C.CCc1cc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)ccc1O.CCc1cc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)ccc1OCC=C(C)C.Cc1cc(-c2ccc(O)c(C(C)C)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.Cc1cc(-c2ccc(OCc3ccccc3)c(C(C)(C)O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.Cc1cc(-c2ccc(OCc3ccccc3)c(C(C)O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1
• InChI: InChI=1S/C31H32O5S.C30H30O5S.C29H34O4S.C28H32O4S.C27H30O2.C24H26O4S.C23H24O4S/c1-21-18-28(22(2)17-27(21)24-11-14-26(15-12-24)36-37(5,33)34)25-13-16-30(29(19-25)31(3,4)32)35-20-23-9-7-6-8-10-23;1-20-17-28(21(2)16-27(20)24-10-13-26(14-11-24)35-36(4,32)33)25-12-15-30(29(18-25)22(3)31)34-19-23-8-6-5-7-9-23;1-19(2)14-15-32-29-13-10-24(18-26(29)20(3)4)28-17-21(5)27(16-22(28)6)23-8-11-25(12-9-23)33-34(7,30)31;1-7-22-18-24(10-13-28(22)31-15-14-19(2)3)27-17-20(4)26(16-21(27)5)23-8-11-25(12-9-23)32-33(6,29)30;1-6-21-17-23(9-12-27(21)29-14-13-18(2)3)26-16-19(4)25(15-20(26)5)22-7-10-24(28)11-8-22;1-15(2)21-14-19(8-11-24(21)25)23-13-16(3)22(12-17(23)4)18-6-9-20(10-7-18)28-29(5,26)27;1-5-17-14-19(8-11-23(17)24)22-13-15(2)21(12-16(22)3)18-6-9-20(10-7-18)27-28(4,25)26/h6-19,32H,20H2,1-5H3;5-18,22,31H,19H2,1-4H3;8-14,16-18,20H,15H2,1-7H3;8-14,16-18H,7,15H2,1-6H3;7-13,15-17,28H,6,14H2,1-5H3;6-15,25H,1-5H3;6-14,24H,5H2,1-4H3
• InChIKey: QXMYPCDULLRHSE-UHFFFAOYSA-N
• XLogP: 46.02
• TPSA: 407.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3156.15
LogP ≤ 5	46.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate?

The IUPAC name of [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate (CID 160546598) is [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate.

What is the SMILES notation for [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate?

The canonical SMILES for [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)cc1C(C)C.CCc1cc(-c2cc(C)c(-c3ccc(O)cc3)cc2C)ccc1OCC=C(C)C.CCc1cc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)ccc1O.CCc1cc(-c2cc(C)c(-c3ccc(OS(C)(=O)=O)cc3)cc2C)ccc1OCC=C(C)C.Cc1cc(-c2ccc(O)c(C(C)C)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.Cc1cc(-c2ccc(OCc3ccccc3)c(C(C)(C)O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.Cc1cc(-c2ccc(OCc3ccccc3)c(C(C)O)c2)c(C)cc1-c1ccc(OS(C)(=O)=O)cc1.

What is the InChIKey of [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate?

The InChIKey is QXMYPCDULLRHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O5S.C30H30O5S.C29H34O4S.C28H32O4S.C27H30O2.C24H26O4S.C23H24O4S/c1-21-18-28(22(2)17-27(21)24-11-14-26(15-12-24)36-37(5,33)34)25-13-16-30(29(19-25)31(3,4)32)35-20-23-9-7-6-8-10-23;1-20-17-28(21(2)16-27(20)24-10-13-26(14-11-24)35-36(4,32)33)25-12-15-30(29(18-25)22(3)31)34-19-23-8-6-5-7-9-23;1-19(2)14-15-32-29-13-10-24(18-26(29)20(3)4)28-17-21(5)27(16-22(28)6)23-8-11-25(12-9-23)33-34(7,30)31;1-7-22-18-24(10-13-28(22)31-15-14-19(2)3)27-17-20(4)26(16-21(27)5)23-8-11-25(12-9-23)32-33(6,29)30;1-6-21-17-23(9-12-27(21)29-14-13-18(2)3)26-16-19(4)25(15-20(26)5)22-7-10-24(28)11-8-22;1-15(2)21-14-19(8-11-24(21)25)23-13-16(3)22(12-17(23)4)18-6-9-20(10-7-18)28-29(5,26)27;1-5-17-14-19(8-11-23(17)24)22-13-15(2)21(12-16(22)3)18-6-9-20(10-7-18)27-28(4,25)26/h6-19,32H,20H2,1-5H3;5-18,22,31H,19H2,1-4H3;8-14,16-18,20H,15H2,1-7H3;8-14,16-18H,7,15H2,1-6H3;7-13,15-17,28H,6,14H2,1-5H3;6-15,25H,1-5H3;6-14,24H,5H2,1-4H3.

What are the key properties of [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate?

[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate has a molecular weight of 3156.15 g/mol, XLogP of 46.02, 48 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-propan-2-ylphenyl]phenyl]phenyl] methanesulfonate;[4-[4-(3-ethyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenol;[4-[4-[3-ethyl-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(1-hydroxyethyl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-(4-hydroxy-3-propan-2-ylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate;[4-[4-[3-(2-hydroxypropan-2-yl)-4-phenylmethoxyphenyl]-2,5-dimethylphenyl]phenyl] methanesulfonate is sourced from PubChem (CID 160546598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).