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]benzo[g][1,3,2]benzodioxaphosphinin-4-one

C43H38O11P2 — CID 20591191

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]benzo[g][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]benzo[g][1,3,2]benzodioxaphosphinin-4-one (PubChem CID 20591191) has the molecular formula C43H38O11P2 and a molecular weight of 792.71 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]benzo[g][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]benzo[g][1,3,2]benzodioxaphosphinin-4-one
• PubChem CID: 20591191
• Molecular Formula: C43H38O11P2
• Molecular Weight: 792.71 g/mol
• Exact Mass: 792.19
• 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]benzo[g][1,3,2]benzodioxaphosphinin-4-one
• SMILES: COc1cc(C)c(OP2OC(=O)c3cc4ccccc4cc3O2)c(-c2cc(OC)cc(C)c2Op2oc3c(C)cc(OC)cc3c3cc(OC)cc(C)c3o2)c1
• InChI: InChI=1S/C43H38O11P2/c1-23-13-29(45-5)19-33(39(23)50-55-49-38-18-28-12-10-9-11-27(28)17-37(38)43(44)54-55)34-20-30(46-6)14-24(2)40(34)51-56-52-41-25(3)15-31(47-7)21-35(41)36-22-32(48-8)16-26(4)42(36)53-56/h9-22H,1-8H3
• InChIKey: UZCIENGJOHVFKT-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 117.19 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	792.71
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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]benzo[g][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]benzo[g][1,3,2]benzodioxaphosphinin-4-one (CID 20591191) 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]benzo[g][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]benzo[g][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]benzo[g][1,3,2]benzodioxaphosphinin-4-one is COc1cc(C)c(OP2OC(=O)c3cc4ccccc4cc3O2)c(-c2cc(OC)cc(C)c2Op2oc3c(C)cc(OC)cc3c3cc(OC)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]benzo[g][1,3,2]benzodioxaphosphinin-4-one?

The InChIKey is UZCIENGJOHVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O11P2/c1-23-13-29(45-5)19-33(39(23)50-55-49-38-18-28-12-10-9-11-27(28)17-37(38)43(44)54-55)34-20-30(46-6)14-24(2)40(34)51-56-52-41-25(3)15-31(47-7)21-35(41)36-22-32(48-8)16-26(4)42(36)53-56/h9-22H,1-8H3.

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]benzo[g][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]benzo[g][1,3,2]benzodioxaphosphinin-4-one has a molecular weight of 792.71 g/mol, XLogP of 12.08, 9 rotatable bonds, 0 hydrogen bond donors, and 11 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]benzo[g][1,3,2]benzodioxaphosphinin-4-one is sourced from PubChem (CID 20591191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).