[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate

C20H17ClNO5P — CID 174986190

IUPAC[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate
SMILESO=P(OCC(=NO)c1ccccc1Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H17ClNO5P/c21-19-14-8-7-13-18(19)20(22-23)15-25-28(24,26-16-9-3-1-4-10-16)27-17-11-5-2-6-12-17/h1-14,23H,15H2
InChIKeyMBRFMIYKVIDBIM-UHFFFAOYSA-N
MW417.79 g/mol
LogP5.80
Rot. Bonds8

About [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate

[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate (PubChem CID 174986190) has the molecular formula C20H17ClNO5P and a molecular weight of 417.79 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate
PubChem CID174986190
Molecular FormulaC20H17ClNO5P
Molecular Weight417.79 g/mol
Exact Mass417.05
IUPAC Name[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate
SMILESO=P(OCC(=NO)c1ccccc1Cl)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H17ClNO5P/c21-19-14-8-7-13-18(19)20(22-23)15-25-28(24,26-16-9-3-1-4-10-16)27-17-11-5-2-6-12-17/h1-14,23H,15H2
InChIKeyMBRFMIYKVIDBIM-UHFFFAOYSA-N
XLogP5.80
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.79
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-chloro-3-phenoxypropyl] diphenyl phosphate
CID 177451805
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
chloroform;diphenyl hydrogen phosphate
CID 174899919
methoxymethyl diphenyl phosphate
CID 18345572
2-methylpropane;triphenyl phosphate
CID 91193965
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl diphenyl phosphate
CID 175686297
chloro diphenyl phosphate;hydrate
CID 70610879
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
diphenyl hydrogen phosphate;silane
CID 175425543
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate?
The IUPAC name of [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate (CID 174986190) is [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate?
The canonical SMILES for [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate is O=P(OCC(=NO)c1ccccc1Cl)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate?
The InChIKey is MBRFMIYKVIDBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClNO5P/c21-19-14-8-7-13-18(19)20(22-23)15-25-28(24,26-16-9-3-1-4-10-16)27-17-11-5-2-6-12-17/h1-14,23H,15H2.
What are the key properties of [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate?
[2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate has a molecular weight of 417.79 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-hydroxyiminoethyl] diphenyl phosphate is sourced from PubChem (CID 174986190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).