2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one

C111H98O25P6 — CID 158844754

About 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one

2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one (PubChem CID 158844754) has the molecular formula C111H98O25P6 and a molecular weight of 2017.82 g/mol. Its IUPAC name is 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one.

Molecular Properties

• Compound Name: 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one
• PubChem CID: 158844754
• Molecular Formula: C111H98O25P6
• Molecular Weight: 2017.82 g/mol
• Exact Mass: 2016.48
• IUPAC Name: 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one
• SMILES: COc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(OC)cc(C)c2Op2oc3c(C)cc(OC)cc3c3cc(OC)cc(C)c3o2)c1.Cc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(C)cc(C)c2OP2Oc3cccc4cccc(c34)O2)c1.Cc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(C)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1
• InChI: InChI=1S/C39H36O11P2.C39H36O7P2.C33H26O7P2/c1-21-13-25(41-5)17-30(35(21)46-51-45-34-12-10-9-11-29(34)39(40)50-51)31-18-26(42-6)14-22(2)36(31)47-52-48-37-23(3)15-27(43-7)19-32(37)33-20-28(44-8)16-24(4)38(33)49-52;1-21-13-25(5)35(42-47-41-34-12-10-9-11-29(34)39(40)46-47)30(17-21)31-18-22(2)14-26(6)36(31)43-48-44-37-27(7)15-23(3)19-32(37)33-20-24(4)16-28(8)38(33)45-48;1-19-15-21(3)31(38-41-36-28-13-7-9-23-10-8-14-29(37-41)30(23)28)25(17-19)26-18-20(2)16-22(4)32(26)39-42-35-27-12-6-5-11-24(27)33(34)40-42/h9-20H,1-8H3;9-20H,1-8H3;5-18H,1-4H3
• InChIKey: IYRJPVHYHUBFBG-UHFFFAOYSA-N
• XLogP: 32.72
• TPSA: 269.91 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.82
LogP ≤ 5	32.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one?

The IUPAC name of 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one (CID 158844754) is 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one.

What is the SMILES notation for 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one?

The canonical SMILES for 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one is COc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(OC)cc(C)c2Op2oc3c(C)cc(OC)cc3c3cc(OC)cc(C)c3o2)c1.Cc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(C)cc(C)c2OP2Oc3cccc4cccc(c34)O2)c1.Cc1cc(C)c(OP2OC(=O)c3ccccc3O2)c(-c2cc(C)cc(C)c2Op2oc3c(C)cc(C)cc3c3cc(C)cc(C)c3o2)c1.

What is the InChIKey of 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one?

The InChIKey is IYRJPVHYHUBFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36O11P2.C39H36O7P2.C33H26O7P2/c1-21-13-25(41-5)17-30(35(21)46-51-45-34-12-10-9-11-29(34)39(40)50-51)31-18-26(42-6)14-22(2)36(31)47-52-48-37-23(3)15-27(43-7)19-32(37)33-20-28(44-8)16-24(4)38(33)49-52;1-21-13-25(5)35(42-47-41-34-12-10-9-11-29(34)39(40)46-47)30(17-21)31-18-22(2)14-26(6)36(31)43-48-44-37-27(7)15-23(3)19-32(37)33-20-24(4)16-28(8)38(33)45-48;1-19-15-21(3)31(38-41-36-28-13-7-9-23-10-8-14-29(37-41)30(23)28)25(17-19)26-18-20(2)16-22(4)32(26)39-42-35-27-12-6-5-11-24(27)33(34)40-42/h9-20H,1-8H3;9-20H,1-8H3;5-18H,1-4H3.

What are the key properties of 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one?

2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one has a molecular weight of 2017.82 g/mol, XLogP of 32.72, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3-methylphenyl]-4-methoxy-6-methylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one;2-[2-[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-1,3,2-benzodioxaphosphinin-4-one is sourced from PubChem (CID 158844754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).