[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite

C40H44O9P2 — CID 142908247

About [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite

[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite (PubChem CID 142908247) has the molecular formula C40H44O9P2 and a molecular weight of 730.73 g/mol. Its IUPAC name is [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite.

Molecular Properties

• Compound Name: [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
• PubChem CID: 142908247
• Molecular Formula: C40H44O9P2
• Molecular Weight: 730.73 g/mol
• Exact Mass: 730.25
• IUPAC Name: [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
• SMILES: Cc1ccc(C)c(OP(Oc2cc(C)c(O)cc2C)Oc2cc(C)c(OP(Oc3cc(C)c(O)cc3C)Oc3cc(C)c(O)cc3C)cc2C)c1
• InChI: InChI=1S/C40H44O9P2/c1-22-11-12-23(2)35(13-22)44-50(45-36-17-24(3)32(41)14-27(36)6)48-39-20-31(10)40(21-30(39)9)49-51(46-37-18-25(4)33(42)15-28(37)7)47-38-19-26(5)34(43)16-29(38)8/h11-21,41-43H,1-10H3
• InChIKey: BQPMPBVFWGRJDJ-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 116.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.73
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite?

The IUPAC name of [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite (CID 142908247) is [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite.

What is the SMILES notation for [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite?

The canonical SMILES for [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite is Cc1ccc(C)c(OP(Oc2cc(C)c(O)cc2C)Oc2cc(C)c(OP(Oc3cc(C)c(O)cc3C)Oc3cc(C)c(O)cc3C)cc2C)c1.

What is the InChIKey of [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite?

The InChIKey is BQPMPBVFWGRJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44O9P2/c1-22-11-12-23(2)35(13-22)44-50(45-36-17-24(3)32(41)14-27(36)6)48-39-20-31(10)40(21-30(39)9)49-51(46-37-18-25(4)33(42)15-28(37)7)47-38-19-26(5)34(43)16-29(38)8/h11-21,41-43H,1-10H3.

What are the key properties of [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite?

[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite has a molecular weight of 730.73 g/mol, XLogP of 11.41, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite is sourced from PubChem (CID 142908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).