[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene

C14H17NO4P2 — CID 11865181

IUPAC[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
SMILESC[P@](=O)(N[P@](C)(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H17NO4P2/c1-20(16,18-13-9-5-3-6-10-13)15-21(2,17)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,15,16,17)/t20-,21-/m1/s1
InChIKeyZWLGNCBTJUWANJ-NHCUHLMSSA-N
MW325.24 g/mol
LogP4.38
Rot. Bonds6

About [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene

[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene (PubChem CID 11865181) has the molecular formula C14H17NO4P2 and a molecular weight of 325.24 g/mol. Its IUPAC name is [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene.

Molecular Properties

Compound Name[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
PubChem CID11865181
Molecular FormulaC14H17NO4P2
Molecular Weight325.24 g/mol
Exact Mass325.06
IUPAC Name[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
SMILESC[P@](=O)(N[P@](C)(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H17NO4P2/c1-20(16,18-13-9-5-3-6-10-13)15-21(2,17)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,15,16,17)/t20-,21-/m1/s1
InChIKeyZWLGNCBTJUWANJ-NHCUHLMSSA-N
XLogP4.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[amino(methyl)phosphoryl]oxybenzene
CID 11864135
4-bromo-N-[methyl(phenoxy)phosphoryl]aniline
CID 11864281
N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
2-methylpropane;triphenyl phosphate
CID 91193965
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507

Frequently Asked Questions

What is the IUPAC name of [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene?
The IUPAC name of [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene (CID 11865181) is [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene.
What is the SMILES notation for [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene?
The canonical SMILES for [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene is C[P@](=O)(N[P@](C)(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene?
The InChIKey is ZWLGNCBTJUWANJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C14H17NO4P2/c1-20(16,18-13-9-5-3-6-10-13)15-21(2,17)19-14-11-7-4-8-12-14/h3-12H,1-2H3,(H,15,16,17)/t20-,21-/m1/s1.
What are the key properties of [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene?
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene has a molecular weight of 325.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene is sourced from PubChem (CID 11865181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).