1-diazo-3-diphenoxyphosphorylpropan-2-one

C15H13N2O4P — CID 102530448

IUPAC1-diazo-3-diphenoxyphosphorylpropan-2-one
SMILES[N-]=[N+]=CC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H13N2O4P/c16-17-11-13(18)12-22(19,20-14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h1-11H,12H2
InChIKeyLOHKXQZIJWDTKU-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.21
Rot. Bonds7

About 1-diazo-3-diphenoxyphosphorylpropan-2-one

1-diazo-3-diphenoxyphosphorylpropan-2-one (PubChem CID 102530448) has the molecular formula C15H13N2O4P and a molecular weight of 316.25 g/mol. Its IUPAC name is 1-diazo-3-diphenoxyphosphorylpropan-2-one.

Molecular Properties

Compound Name1-diazo-3-diphenoxyphosphorylpropan-2-one
PubChem CID102530448
Molecular FormulaC15H13N2O4P
Molecular Weight316.25 g/mol
Exact Mass316.06
IUPAC Name1-diazo-3-diphenoxyphosphorylpropan-2-one
SMILES[N-]=[N+]=CC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H13N2O4P/c16-17-11-13(18)12-22(19,20-14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h1-11H,12H2
InChIKeyLOHKXQZIJWDTKU-UHFFFAOYSA-N
XLogP3.21
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
CID 11257863
4-diphenoxyphosphoryl-3-methylbut-2-enenitrile
CID 74317219
CID 131875092
CID 131875092
(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one
CID 101243518
5-diazo-4-oxo-2-phenylpentanal
CID 100976622
2-amino-4-diphenoxyphosphorylbutanoic acid
CID 23582839
2-(diphenoxyphosphorylmethyl)butanedioic acid
CID 58818769
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[(2S)-hept-6-en-2-yl] 2-diphenoxyphosphorylacetate
CID 102260491
N-(5-diphenoxyphosphorylpentyl)benzamide
CID 71323655

Frequently Asked Questions

What is the IUPAC name of 1-diazo-3-diphenoxyphosphorylpropan-2-one?
The IUPAC name of 1-diazo-3-diphenoxyphosphorylpropan-2-one (CID 102530448) is 1-diazo-3-diphenoxyphosphorylpropan-2-one.
What is the SMILES notation for 1-diazo-3-diphenoxyphosphorylpropan-2-one?
The canonical SMILES for 1-diazo-3-diphenoxyphosphorylpropan-2-one is [N-]=[N+]=CC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-diazo-3-diphenoxyphosphorylpropan-2-one?
The InChIKey is LOHKXQZIJWDTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2O4P/c16-17-11-13(18)12-22(19,20-14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h1-11H,12H2.
What are the key properties of 1-diazo-3-diphenoxyphosphorylpropan-2-one?
1-diazo-3-diphenoxyphosphorylpropan-2-one has a molecular weight of 316.25 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-3-diphenoxyphosphorylpropan-2-one is sourced from PubChem (CID 102530448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).