hydroxy-imino-diphenoxy-λ5-phosphane

C12H12NO3P — CID 57044355

IUPAChydroxy-imino-diphenoxy-λ5-phosphane
SMILES[H]N=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChIKeyQWMUDOFWQWBHFI-UHFFFAOYSA-N
MW249.21 g/mol
LogP3.66
Rot. Bonds4

About hydroxy-imino-diphenoxy-λ5-phosphane

hydroxy-imino-diphenoxy-λ5-phosphane (PubChem CID 57044355) has the molecular formula C12H12NO3P and a molecular weight of 249.21 g/mol. Its IUPAC name is hydroxy-imino-diphenoxy-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-imino-diphenoxy-λ5-phosphane
PubChem CID57044355
Molecular FormulaC12H12NO3P
Molecular Weight249.21 g/mol
Exact Mass249.06
IUPAC Namehydroxy-imino-diphenoxy-λ5-phosphane
SMILES[H]N=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChIKeyQWMUDOFWQWBHFI-UHFFFAOYSA-N
XLogP3.66
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
dihydroxy-phenoxy-sulfanylidene-λ5-phosphane;ethene
CID 88776379
hydroxy phenyl hydrogen phosphate
CID 19103302
cesium phenyl hydrogen phosphate
CID 175568082
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
dihydroxy-[hydroxy(phenoxy)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 87475598
chloroform;diphenyl hydrogen phosphate
CID 174899919
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926

Frequently Asked Questions

What is the IUPAC name of hydroxy-imino-diphenoxy-λ5-phosphane?
The IUPAC name of hydroxy-imino-diphenoxy-λ5-phosphane (CID 57044355) is hydroxy-imino-diphenoxy-λ5-phosphane.
What is the SMILES notation for hydroxy-imino-diphenoxy-λ5-phosphane?
The canonical SMILES for hydroxy-imino-diphenoxy-λ5-phosphane is [H]N=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of hydroxy-imino-diphenoxy-λ5-phosphane?
The InChIKey is QWMUDOFWQWBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14).
What are the key properties of hydroxy-imino-diphenoxy-λ5-phosphane?
hydroxy-imino-diphenoxy-λ5-phosphane has a molecular weight of 249.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-imino-diphenoxy-λ5-phosphane is sourced from PubChem (CID 57044355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).