2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane

C170H194Cl4FeO21P6 — CID 160859311

About 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane

2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane (PubChem CID 160859311) has the molecular formula C170H194Cl4FeO21P6 and a molecular weight of 2956.90 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane.

Molecular Properties

• Compound Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane
• PubChem CID: 160859311
• Molecular Formula: C170H194Cl4FeO21P6
• Molecular Weight: 2956.90 g/mol
• Exact Mass: 2953.06
• IUPAC Name: 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane
• SMILES: COc1cc(-c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.COc1cc(-c2cc(C)cc(C(C)(C)C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(C(C)(C)C)c1.Cc1cc(C)c(O)c(-c2cc(C)cc(C)c2O)c1.Cc1cc(C)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(-c2cc(C)cc(C)c2Op2oc3c(C(C)(C)C)cc(C)cc3c3cc(C)cc(C(C)(C)C)c3o2)c1.Cc1cc(C)c2op(Cl)oc3c(C)cc(C)cc3c2c1.Cc1ccc(O)c(C)c1.ClP(Cl)Cl.[Fe]
• InChI: InChI=1S/C54H60O7P2.C54H60O6P2.C22H30O3.C16H16ClO2P.C16H18O2.C8H10O.Cl3P.Fe/c1-29-17-34(6)47-39(21-29)40-22-30(2)18-35(7)48(40)57-62(56-47)60-51-43(25-33(5)26-45(51)53(10,11)12)44-27-38(55-16)28-46(54(13,14)15)52(44)61-63-58-49-36(8)19-31(3)23-41(49)42-24-32(4)20-37(9)50(42)59-63;1-29-17-35(7)47-39(21-29)40-22-30(2)18-36(8)48(40)56-61(55-47)57-49-37(9)19-31(3)23-41(49)42-24-32(4)20-38(10)50(42)58-62-59-51-43(25-33(5)27-45(51)53(11,12)13)44-26-34(6)28-46(52(44)60-62)54(14,15)16;1-13-9-15(19(23)17(10-13)21(2,3)4)16-11-14(25-8)12-18(20(16)24)22(5,6)7;1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)19-20(17)18-15;1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18;1-6-3-4-8(9)7(2)5-6;1-4(2)3;/h17-28H,1-16H3;17-28H,1-16H3;9-12,23-24H,1-8H3;5-8H,1-4H3;5-8,17-18H,1-4H3;3-5,9H,1-2H3
• InChIKey: SKGRMIQXXNDFEE-UHFFFAOYSA-N
• XLogP: 56.68
• TPSA: 287.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2956.90
LogP ≤ 5	56.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane?

The IUPAC name of 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane (CID 160859311) is 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane.

What is the SMILES notation for 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane?

The canonical SMILES for 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane is COc1cc(-c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.COc1cc(-c2cc(C)cc(C(C)(C)C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(C(C)(C)C)c1.Cc1cc(C)c(O)c(-c2cc(C)cc(C)c2O)c1.Cc1cc(C)c(Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c(-c2cc(C)cc(C)c2Op2oc3c(C(C)(C)C)cc(C)cc3c3cc(C)cc(C(C)(C)C)c3o2)c1.Cc1cc(C)c2op(Cl)oc3c(C)cc(C)cc3c2c1.Cc1ccc(O)c(C)c1.ClP(Cl)Cl.[Fe].

What is the InChIKey of 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane?

The InChIKey is SKGRMIQXXNDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60O7P2.C54H60O6P2.C22H30O3.C16H16ClO2P.C16H18O2.C8H10O.Cl3P.Fe/c1-29-17-34(6)47-39(21-29)40-22-30(2)18-35(7)48(40)57-62(56-47)60-51-43(25-33(5)26-45(51)53(10,11)12)44-27-38(55-16)28-46(54(13,14)15)52(44)61-63-58-49-36(8)19-31(3)23-41(49)42-24-32(4)20-37(9)50(42)59-63;1-29-17-35(7)47-39(21-29)40-22-30(2)18-36(8)48(40)56-61(55-47)57-49-37(9)19-31(3)23-41(49)42-24-32(4)20-38(10)50(42)58-62-59-51-43(25-33(5)27-45(51)53(11,12)13)44-26-34(6)28-46(52(44)60-62)54(14,15)16;1-13-9-15(19(23)17(10-13)21(2,3)4)16-11-14(25-8)12-18(20(16)24)22(5,6)7;1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16(14)19-20(17)18-15;1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18;1-6-3-4-8(9)7(2)5-6;1-4(2)3;/h17-28H,1-16H3;17-28H,1-16H3;9-12,23-24H,1-8H3;5-8H,1-4H3;5-8,17-18H,1-4H3;3-5,9H,1-2H3;;.

What are the key properties of 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane?

2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane has a molecular weight of 2956.90 g/mol, XLogP of 56.68, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane is sourced from PubChem (CID 160859311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).