1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene

C172H160Cl2O22S5 — CID 165016490

About 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene

1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene (PubChem CID 165016490) has the molecular formula C172H160Cl2O22S5 and a molecular weight of 2810.39 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene.

Molecular Properties

• Compound Name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene
• PubChem CID: 165016490
• Molecular Formula: C172H160Cl2O22S5
• Molecular Weight: 2810.39 g/mol
• Exact Mass: 2806.94
• IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene
• SMILES: C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)c(CC=C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(OC)cc8)cc7)c(CC=C)c6)cc5CC=C)cc4)cc3)c(CC=C)c2)ccc1C.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
• InChI: InChI=1S/C68H66O8S2.C59H52O8S2.C21H24O2.C12H8Cl2O2S.C12H10O2/c1-11-15-48-43-52(20-19-47(48)5)67(6,7)53-21-40-64(49(44-53)16-12-2)74-58-28-36-62(37-29-58)78(71,72)63-38-30-59(31-39-63)76-66-42-23-55(46-51(66)18-14-4)68(8,9)54-22-41-65(50(45-54)17-13-3)75-57-26-34-61(35-27-57)77(69,70)60-32-24-56(73-10)25-33-60;1-7-9-44-39-46(17-37-57(44)66-51-25-33-55(34-26-51)68(60,61)53-29-21-48(64-6)22-30-53)59(4,5)47-18-38-58(45(40-47)10-8-2)67-52-27-35-56(36-28-52)69(62,63)54-31-23-50(24-32-54)65-49-19-15-43(16-20-49)42-13-11-41(3)12-14-42;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h11-14,19-46H,1-4,15-18H2,5-10H3;7-8,11-40H,1-2,9-10H2,3-6H3;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;1-8H;1-8,13-14H
• InChIKey: KMQZQQZKFBIHSI-UHFFFAOYSA-N
• XLogP: 42.58
• TPSA: 325.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 50
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2810.39
LogP ≤ 5	42.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene?

The IUPAC name of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene (CID 165016490) is 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene.

What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene?

The canonical SMILES for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene is C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(C)cc6)cc5)cc4)cc3)c(CC=C)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.C=CCc1cc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(OC)cc8)cc7)c(CC=C)c6)cc5CC=C)cc4)cc3)c(CC=C)c2)ccc1C.O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.

What is the InChIKey of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene?

The InChIKey is KMQZQQZKFBIHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H66O8S2.C59H52O8S2.C21H24O2.C12H8Cl2O2S.C12H10O2/c1-11-15-48-43-52(20-19-47(48)5)67(6,7)53-21-40-64(49(44-53)16-12-2)74-58-28-36-62(37-29-58)78(71,72)63-38-30-59(31-39-63)76-66-42-23-55(46-51(66)18-14-4)68(8,9)54-22-41-65(50(45-54)17-13-3)75-57-26-34-61(35-27-57)77(69,70)60-32-24-56(73-10)25-33-60;1-7-9-44-39-46(17-37-57(44)66-51-25-33-55(34-26-51)68(60,61)53-29-21-48(64-6)22-30-53)59(4,5)47-18-38-58(45(40-47)10-8-2)67-52-27-35-56(36-28-52)69(62,63)54-31-23-50(24-32-54)65-49-19-15-43(16-20-49)42-13-11-41(3)12-14-42;1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h11-14,19-46H,1-4,15-18H2,5-10H3;7-8,11-40H,1-2,9-10H2,3-6H3;5-6,9-14,22-23H,1-2,7-8H2,3-4H3;1-8H;1-8,13-14H.

What are the key properties of 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene?

1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene has a molecular weight of 2810.39 g/mol, XLogP of 42.58, 50 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-(4-chlorophenyl)sulfonylbenzene;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene;4-[2-[4-[4-[4-[4-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-1-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 165016490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).