4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)

C146H160O19S4 — CID 157276831

About 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)

4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium) (PubChem CID 157276831) has the molecular formula C146H160O19S4 and a molecular weight of 2347.13 g/mol. Its IUPAC name is 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)
• PubChem CID: 157276831
• Molecular Formula: C146H160O19S4
• Molecular Weight: 2347.13 g/mol
• Exact Mass: 2345.04
• IUPAC Name: 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)
• SMILES: CCC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1cccc(OC(C)OCCOc2ccccc2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C33H36O3.C20H26O3.C18H20O6S.C18H20O5S.2C18H15S.C11H16O.C10H14O/c1-5-33(3,4)28-19-21-29(22-20-28)36-25(2)34-23-24-35-32-30(26-13-8-6-9-14-26)17-12-18-31(32)27-15-10-7-11-16-27;1-4-16(2)18-9-8-12-20(15-18)23-17(3)21-13-14-22-19-10-6-5-7-11-19;1-3-13(2)14-4-6-15(7-5-14)23-12-18(19)24-16-8-10-17(11-9-16)25(20,21)22;1-4-18(2,3)13-9-11-14(12-10-13)23-17(19)15-7-5-6-8-16(15)24(20,21)22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11(2,3)9-5-7-10(12)8-6-9;1-3-8(2)9-4-6-10(11)7-5-9/h6-22,25H,5,23-24H2,1-4H3;5-12,15-17H,4,13-14H2,1-3H3;4-11,13H,3,12H2,1-2H3,(H,20,21,22);5-12H,4H2,1-3H3,(H,20,21,22);2*1-15H;5-8,12H,4H2,1-3H3;4-8,11H,3H2,1-2H3/q;;;;2*+1;;/p-2
• InChIKey: AZEZDEKSTAXLNP-UHFFFAOYSA-L
• XLogP: 35.68
• TPSA: 272.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 42
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.13
LogP ≤ 5	35.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)?

The IUPAC name of 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium) (CID 157276831) is 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium).

What is the SMILES notation for 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)?

The canonical SMILES for 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium) is CCC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1cccc(OC(C)OCCOc2ccccc2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)?

The InChIKey is AZEZDEKSTAXLNP-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H36O3.C20H26O3.C18H20O6S.C18H20O5S.2C18H15S.C11H16O.C10H14O/c1-5-33(3,4)28-19-21-29(22-20-28)36-25(2)34-23-24-35-32-30(26-13-8-6-9-14-26)17-12-18-31(32)27-15-10-7-11-16-27;1-4-16(2)18-9-8-12-20(15-18)23-17(3)21-13-14-22-19-10-6-5-7-11-19;1-3-13(2)14-4-6-15(7-5-14)23-12-18(19)24-16-8-10-17(11-9-16)25(20,21)22;1-4-18(2,3)13-9-11-14(12-10-13)23-17(19)15-7-5-6-8-16(15)24(20,21)22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11(2,3)9-5-7-10(12)8-6-9;1-3-8(2)9-4-6-10(11)7-5-9/h6-22,25H,5,23-24H2,1-4H3;5-12,15-17H,4,13-14H2,1-3H3;4-11,13H,3,12H2,1-2H3,(H,20,21,22);5-12H,4H2,1-3H3,(H,20,21,22);2*1-15H;5-8,12H,4H2,1-3H3;4-8,11H,3H2,1-2H3/q;;;;2*+1;;/p-2.

What are the key properties of 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium)?

4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium) has a molecular weight of 2347.13 g/mol, XLogP of 35.68, 42 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)acetyl]oxybenzenesulfonate;1-butan-2-yl-3-[1-(2-phenoxyethoxy)ethoxy]benzene;4-(2-methylbutan-2-yl)phenol;2-[4-(2-methylbutan-2-yl)phenoxy]carbonylbenzenesulfonate;2-[2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]-1,3-diphenylbenzene;bis(triphenylsulfanium) is sourced from PubChem (CID 157276831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).