2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one

C52H62O11P2 — CID 88856871

IUPAC2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP2OC(=O)c3cc(C)ccc3O2)c(C(C)(C)C)c1
InChIInChI=1S/C52H62O11P2/c1-29-18-19-43-38(20-29)48(53)63-64(58-43)59-44-34(21-30(54-14)25-39(44)49(2,3)4)35-22-31(55-15)26-40(50(5,6)7)45(35)60-65-61-46-36(23-32(56-16)27-41(46)51(8,9)10)37-24-33(57-17)28-42(47(37)62-65)52(11,12)13/h18-28H,1-17H3
InChIKeyIZZYZJYOUBEFKL-UHFFFAOYSA-N
MW925.00 g/mol
LogP15.19
Rot. Bonds9

About 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one

2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one (PubChem CID 88856871) has the molecular formula C52H62O11P2 and a molecular weight of 925.00 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one.

Molecular Properties

Compound Name2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one
PubChem CID88856871
Molecular FormulaC52H62O11P2
Molecular Weight925.00 g/mol
Exact Mass924.38
IUPAC Name2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP2OC(=O)c3cc(C)ccc3O2)c(C(C)(C)C)c1
InChIInChI=1S/C52H62O11P2/c1-29-18-19-43-38(20-29)48(53)63-64(58-43)59-44-34(21-30(54-14)25-39(44)49(2,3)4)35-22-31(55-15)26-40(50(5,6)7)45(35)60-65-61-46-36(23-32(56-16)27-41(46)51(8,9)10)37-24-33(57-17)28-42(47(37)62-65)52(11,12)13/h18-28H,1-17H3
InChIKeyIZZYZJYOUBEFKL-UHFFFAOYSA-N
XLogP15.19
TPSA117.19 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.00
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one?
The IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one (CID 88856871) is 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one.
What is the SMILES notation for 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one?
The canonical SMILES for 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP2OC(=O)c3cc(C)ccc3O2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one?
The InChIKey is IZZYZJYOUBEFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H62O11P2/c1-29-18-19-43-38(20-29)48(53)63-64(58-43)59-44-34(21-30(54-14)25-39(44)49(2,3)4)35-22-31(55-15)26-40(50(5,6)7)45(35)60-65-61-46-36(23-32(56-16)27-41(46)51(8,9)10)37-24-33(57-17)28-42(47(37)62-65)52(11,12)13/h18-28H,1-17H3.
What are the key properties of 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one?
2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one has a molecular weight of 925.00 g/mol, XLogP of 15.19, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one is sourced from PubChem (CID 88856871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).