6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

C50H60O10P2 — CID 15002007

IUPAC6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP2Oc3ccccc3O2)c(C(C)(C)C)c1
InChIInChI=1S/C50H60O10P2/c1-47(2,3)37-25-29(51-13)21-33(43(37)57-61-55-41-19-17-18-20-42(41)56-61)34-22-30(52-14)26-38(48(4,5)6)44(34)58-62-59-45-35(23-31(53-15)27-39(45)49(7,8)9)36-24-32(54-16)28-40(46(36)60-62)50(10,11)12/h17-28H,1-16H3
InChIKeyKCPLKGVFKKYLDX-UHFFFAOYSA-N
MW882.97 g/mol
LogP15.10
Rot. Bonds9

About 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 15002007) has the molecular formula C50H60O10P2 and a molecular weight of 882.97 g/mol. Its IUPAC name is 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID15002007
Molecular FormulaC50H60O10P2
Molecular Weight882.97 g/mol
Exact Mass882.37
IUPAC Name6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP2Oc3ccccc3O2)c(C(C)(C)C)c1
InChIInChI=1S/C50H60O10P2/c1-47(2,3)37-25-29(51-13)21-33(43(37)57-61-55-41-19-17-18-20-42(41)56-61)34-22-30(52-14)26-38(48(4,5)6)44(34)58-62-59-45-35(23-31(53-15)27-39(45)49(7,8)9)36-24-32(54-16)28-40(46(36)60-62)50(10,11)12/h17-28H,1-16H3
InChIKeyKCPLKGVFKKYLDX-UHFFFAOYSA-N
XLogP15.10
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.97
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (CID 15002007) is 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine 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(OP2Oc3ccccc3O2)c(C(C)(C)C)c1.
What is the InChIKey of 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is KCPLKGVFKKYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60O10P2/c1-47(2,3)37-25-29(51-13)21-33(43(37)57-61-55-41-19-17-18-20-42(41)56-61)34-22-30(52-14)26-38(48(4,5)6)44(34)58-62-59-45-35(23-31(53-15)27-39(45)49(7,8)9)36-24-32(54-16)28-40(46(36)60-62)50(10,11)12/h17-28H,1-16H3.
What are the key properties of 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 882.97 g/mol, XLogP of 15.10, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(1,3,2-benzodioxaphosphol-2-yloxy)-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 15002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).