1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium

C142H186F2O15S2 — CID 159074951

About 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium

1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium (PubChem CID 159074951) has the molecular formula C142H186F2O15S2 and a molecular weight of 2235.16 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium
• PubChem CID: 159074951
• Molecular Formula: C142H186F2O15S2
• Molecular Weight: 2235.16 g/mol
• Exact Mass: 2233.32
• IUPAC Name: 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium
• SMILES: CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(C)OC(C)C)cc1.CCC(C)c1ccc(OC(C)OC(C)C)cc1.CCC(C)c1ccc(OC(OC(C)c2ccccc2)C(C)(C)C)cc1.CCC(C)c1ccc(OC(OC2CCOc3ccccc32)C(C)(C)C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H32O3.C23H32O2.C18H15S.2C15H24O2.C14H14.C13H18F2O4S.2C10H14O/c1-6-17(2)18-11-13-19(14-12-18)26-23(24(3,4)5)27-22-15-16-25-21-10-8-7-9-20(21)22;1-7-17(2)19-13-15-21(16-14-19)25-22(23(4,5)6)24-18(3)20-11-9-8-10-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-6-12(4)14-7-9-15(10-8-14)17-13(5)16-11(2)3;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-9(2)11-5-7-12(8-6-11)19-10(3)13(14,15)20(16,17)18;2*1-3-8(2)9-4-6-10(11)7-5-9/h7-14,17,22-23H,6,15-16H2,1-5H3;8-18,22H,7H2,1-6H3;1-15H;2*7-13H,6H2,1-5H3;3-10H,1-2H3;5-10H,4H2,1-3H3,(H,16,17,18);2*4-8,11H,3H2,1-2H3/q;;+1;;;;;;/p-1
• InChIKey: KADATNUASRJJQF-UHFFFAOYSA-M
• XLogP: 39.68
• TPSA: 189.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2235.16
LogP ≤ 5	39.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium?

The IUPAC name of 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium (CID 159074951) is 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium.

What is the SMILES notation for 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium?

The canonical SMILES for 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium is CC1c2cccc3cccc(c23)C1C.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OC(C)OC(C)C)cc1.CCC(C)c1ccc(OC(C)OC(C)C)cc1.CCC(C)c1ccc(OC(OC(C)c2ccccc2)C(C)(C)C)cc1.CCC(C)c1ccc(OC(OC2CCOc3ccccc32)C(C)(C)C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium?

The InChIKey is KADATNUASRJJQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H32O3.C23H32O2.C18H15S.2C15H24O2.C14H14.C13H18F2O4S.2C10H14O/c1-6-17(2)18-11-13-19(14-12-18)26-23(24(3,4)5)27-22-15-16-25-21-10-8-7-9-20(21)22;1-7-17(2)19-13-15-21(16-14-19)25-22(23(4,5)6)24-18(3)20-11-9-8-10-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-6-12(4)14-7-9-15(10-8-14)17-13(5)16-11(2)3;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-9(2)11-5-7-12(8-6-11)19-10(3)13(14,15)20(16,17)18;2*1-3-8(2)9-4-6-10(11)7-5-9/h7-14,17,22-23H,6,15-16H2,1-5H3;8-18,22H,7H2,1-6H3;1-15H;2*7-13H,6H2,1-5H3;3-10H,1-2H3;5-10H,4H2,1-3H3,(H,16,17,18);2*4-8,11H,3H2,1-2H3/q;;+1;;;;;;/p-1.

What are the key properties of 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium?

1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium has a molecular weight of 2235.16 g/mol, XLogP of 39.68, 38 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-[2,2-dimethyl-1-(1-phenylethoxy)propoxy]benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonate;4-[1-(4-butan-2-ylphenoxy)-2,2-dimethylpropoxy]-3,4-dihydro-2H-chromene;bis(1-butan-2-yl-4-(1-propan-2-yloxyethoxy)benzene);1,2-dimethyl-1,2-dihydroacenaphthylene;triphenylsulfanium is sourced from PubChem (CID 159074951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).