[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene

C23H26O4P2 — CID 98516755

IUPAC[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
SMILESCCOP(=O)(OCC)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O4P2/c1-3-26-29(25,27-4-2)23(20-14-8-5-9-15-20)28(24,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3/t23-/m1/s1
InChIKeyHVFUJLPVLHMHSH-HSZRJFAPSA-N
MW428.41 g/mol
LogP5.97
Rot. Bonds9

About [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene

[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene (PubChem CID 98516755) has the molecular formula C23H26O4P2 and a molecular weight of 428.41 g/mol. Its IUPAC name is [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene.

Molecular Properties

Compound Name[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
PubChem CID98516755
Molecular FormulaC23H26O4P2
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
SMILESCCOP(=O)(OCC)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O4P2/c1-3-26-29(25,27-4-2)23(20-14-8-5-9-15-20)28(24,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3/t23-/m1/s1
InChIKeyHVFUJLPVLHMHSH-HSZRJFAPSA-N
XLogP5.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene?
The IUPAC name of [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene (CID 98516755) is [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene.
What is the SMILES notation for [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene?
The canonical SMILES for [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene is CCOP(=O)(OCC)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene?
The InChIKey is HVFUJLPVLHMHSH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26O4P2/c1-3-26-29(25,27-4-2)23(20-14-8-5-9-15-20)28(24,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3/t23-/m1/s1.
What are the key properties of [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene?
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene has a molecular weight of 428.41 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene is sourced from PubChem (CID 98516755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).