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

C77H92O5P6 — CID 160510320

IUPACdiphenylphosphinous 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
SMILESC.C.CC(C)([C@@H]1CCC[P@]1(=O)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.CC(C)=C1CCC[P@]1(=O)c1ccccc1.OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P2.C25H28OP2.C13H17OP.C12H11OP.2CH4/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;1-25(2,24-19-12-20-28(24,26)23-17-10-5-11-18-23)27(21-13-6-3-7-14-21)22-15-8-4-9-16-22;1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3-11,13-18,24H,12,19-20H2,1-2H3;3-11,13-18,24H,12,19-20H2,1-2H3;3-5,7-8H,6,9-10H2,1-2H3;1-10,13H;2*1H4/t24-,28+;24-,28-;15-;;;/m100.../s1
InChIKeyQSYQPVRGYMSMSB-FNQNJWPESA-N
MW1283.42 g/mol
LogP18.44
Rot. Bonds13

About 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

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 (PubChem CID 160510320) has the molecular formula C77H92O5P6 and a molecular weight of 1283.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namediphenylphosphinous 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
PubChem CID160510320
Molecular FormulaC77H92O5P6
Molecular Weight1283.42 g/mol
Exact Mass1282.54
IUPAC Namediphenylphosphinous 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
SMILESC.C.CC(C)([C@@H]1CCC[P@]1(=O)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.CC(C)=C1CCC[P@]1(=O)c1ccccc1.OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O2P2.C25H28OP2.C13H17OP.C12H11OP.2CH4/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;1-25(2,24-19-12-20-28(24,26)23-17-10-5-11-18-23)27(21-13-6-3-7-14-21)22-15-8-4-9-16-22;1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3-11,13-18,24H,12,19-20H2,1-2H3;3-11,13-18,24H,12,19-20H2,1-2H3;3-5,7-8H,6,9-10H2,1-2H3;1-10,13H;2*1H4/t24-,28+;24-,28-;15-;;;/m100.../s1
InChIKeyQSYQPVRGYMSMSB-FNQNJWPESA-N
XLogP18.44
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.42
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
CID 91380508
2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
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2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
2-[3-(2-diphenylphosphanylpropan-2-yl)-2-bicyclo[2.2.1]heptanyl]propan-2-yl-diphenylphosphane
CID 23403234
diphenylphosphinous acid;hydrochloride
CID 67934097
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
CID 68526810
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
CID 89107891
CID 89107891
1-diphenylphosphanylethane-1,1-diol
CID 151023834

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)([C@@H]1CCC[P@]1(=O)c1ccccc1)P(c1ccccc1)c1ccccc1.CC(C)([C@H]1CCC[P@]1(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.CC(C)=C1CCC[P@]1(=O)c1ccccc1.OP(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is QSYQPVRGYMSMSB-FNQNJWPESA-N. The full InChI is InChI=1S/C25H28O2P2.C25H28OP2.C13H17OP.C12H11OP.2CH4/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;1-25(2,24-19-12-20-28(24,26)23-17-10-5-11-18-23)27(21-13-6-3-7-14-21)22-15-8-4-9-16-22;1-11(2)13-9-6-10-15(13,14)12-7-4-3-5-8-12;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3-11,13-18,24H,12,19-20H2,1-2H3;3-11,13-18,24H,12,19-20H2,1-2H3;3-5,7-8H,6,9-10H2,1-2H3;1-10,13H;2*1H4/t24-,28+;24-,28-;15-;;;/m100.../s1.
What are the key properties of 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?
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 has a molecular weight of 1283.42 g/mol, XLogP of 18.44, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160510320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).