6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

C137H181O14P3 — CID 158188032

About 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine

6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 158188032) has the molecular formula C137H181O14P3 and a molecular weight of 2144.86 g/mol. Its IUPAC name is 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

• Compound Name: 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
• PubChem CID: 158188032
• Molecular Formula: C137H181O14P3
• Molecular Weight: 2144.86 g/mol
• Exact Mass: 2143.27
• IUPAC Name: 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
• SMILES: COc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)cc(C(C)(C)C)cc1C(C)(C)C.COc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)cc(C(C)(C)C)cc1C(C)(C)C.COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(OC)c(C(C)(C)C)c1
• InChI: InChI=1S/C57H83O4P.C41H51O4P.C39H47O6P/c1-50(2,3)34-26-38(46(58-25)42(30-34)54(13,14)15)39-27-35(51(4,5)6)31-43(55(16,17)18)47(39)59-62-60-48-40(28-36(52(7,8)9)32-44(48)56(19,20)21)41-29-37(53(10,11)12)33-45(49(41)61-62)57(22,23)24;1-38(2,3)26-22-30(36(42-13)32(24-26)40(7,8)9)31-23-27(39(4,5)6)25-33(41(10,11)12)37(31)45-46-43-34-20-16-14-18-28(34)29-19-15-17-21-35(29)44-46;1-22-14-24(3)34-28(16-22)29-17-23(2)15-25(4)35(29)44-46(43-34)45-37-31(19-27(41-12)21-33(37)39(8,9)10)30-18-26(40-11)20-32(36(30)42-13)38(5,6)7/h26-33H,1-25H3;14-25H,1-13H3;14-21H,1-13H3
• InChIKey: FZJRGNLIBUGDJV-UHFFFAOYSA-N
• XLogP: 42.84
• TPSA: 152.68 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.86
LogP ≤ 5	42.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The IUPAC name of 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine (CID 158188032) is 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine.

What is the SMILES notation for 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The canonical SMILES for 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is COc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)cc(C(C)(C)C)cc1C(C)(C)C.COc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)cc(C(C)(C)C)cc1C(C)(C)C.COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(OC)c(C(C)(C)C)c1.

What is the InChIKey of 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

The InChIKey is FZJRGNLIBUGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H83O4P.C41H51O4P.C39H47O6P/c1-50(2,3)34-26-38(46(58-25)42(30-34)54(13,14)15)39-27-35(51(4,5)6)31-43(55(16,17)18)47(39)59-62-60-48-40(28-36(52(7,8)9)32-44(48)56(19,20)21)41-29-37(53(10,11)12)33-45(49(41)61-62)57(22,23)24;1-38(2,3)26-22-30(36(42-13)32(24-26)40(7,8)9)31-23-27(39(4,5)6)25-33(41(10,11)12)37(31)45-46-43-34-20-16-14-18-28(34)29-19-15-17-21-35(29)44-46;1-22-14-24(3)34-28(16-22)29-17-23(2)15-25(4)35(29)44-46(43-34)45-37-31(19-27(41-12)21-33(37)39(8,9)10)30-18-26(40-11)20-32(36(30)42-13)38(5,6)7/h26-33H,1-25H3;14-25H,1-13H3;14-21H,1-13H3.

What are the key properties of 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine?

6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 2144.86 g/mol, XLogP of 42.84, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 158188032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).