(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide

C25H28O2P2 — CID 91380508

IUPAC(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
SMILESCC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P2/c1-25(2,24-19-12-20-28(24,26)21-13-6-3-7-14-21)29(27,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18,24H,12,19-20H2,1-2H3/t24-,28+/m1/s1
InChIKeyOWACHFMUPDVBAC-YWEHKCAJSA-N
MW422.44 g/mol
LogP5.63
Rot. Bonds5

About (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide

(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide (PubChem CID 91380508) has the molecular formula C25H28O2P2 and a molecular weight of 422.44 g/mol. Its IUPAC name is (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
PubChem CID91380508
Molecular FormulaC25H28O2P2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
SMILESCC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P2/c1-25(2,24-19-12-20-28(24,26)21-13-6-3-7-14-21)29(27,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18,24H,12,19-20H2,1-2H3/t24-,28+/m1/s1
InChIKeyOWACHFMUPDVBAC-YWEHKCAJSA-N
XLogP5.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphinous acid;(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide;methane;2-[(1R,2S)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]propan-2-yl-diphenylphosphane;(1S)-1-phenyl-2-propan-2-ylidene-1λ5-phospholane 1-oxide
CID 160510320
[bis(3,5-ditert-butylphenyl)-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)methyl]-oxophosphanium
CID 154081538
2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
CID 68526810
CID 89107891
CID 89107891
1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
CID 102203272
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
(3aR,4aS,6S)-6-tert-butyl-8-diphenylphosphoryl-1,2,3,3a,4,4a,5,6-octahydro-s-indacene
CID 14897930
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide?
The IUPAC name of (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide (CID 91380508) is (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide is CC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide?
The InChIKey is OWACHFMUPDVBAC-YWEHKCAJSA-N. The full InChI is InChI=1S/C25H28O2P2/c1-25(2,24-19-12-20-28(24,26)21-13-6-3-7-14-21)29(27,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18,24H,12,19-20H2,1-2H3/t24-,28+/m1/s1.
What are the key properties of (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide?
(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide has a molecular weight of 422.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 91380508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).