[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene

C15H16N3O3P — CID 10591556

IUPAC[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILES[N-]=[N+]=NCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H16N3O3P/c16-18-17-13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyBVPYUAQBHWIPCK-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.88
Rot. Bonds8

About [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene

[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene (PubChem CID 10591556) has the molecular formula C15H16N3O3P and a molecular weight of 317.29 g/mol. Its IUPAC name is [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene.

Molecular Properties

Compound Name[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
PubChem CID10591556
Molecular FormulaC15H16N3O3P
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene
SMILES[N-]=[N+]=NCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H16N3O3P/c16-18-17-13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyBVPYUAQBHWIPCK-UHFFFAOYSA-N
XLogP4.88
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-azido-1-bis(phenylmethoxy)phosphorylbutan-2-ol
CID 11326318
azidomethoxymethylbenzene
CID 11171149
dibenzyl hydrogen phosphate;silver
CID 85301331
2-azidoethoxymethylbenzene
CID 11116596
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
CID 162188865
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401

Frequently Asked Questions

What is the IUPAC name of [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The IUPAC name of [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene (CID 10591556) is [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene.
What is the SMILES notation for [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The canonical SMILES for [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene is [N-]=[N+]=NCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
The InChIKey is BVPYUAQBHWIPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3O3P/c16-18-17-13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene?
[azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene has a molecular weight of 317.29 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [azidomethyl(phenylmethoxy)phosphoryl]oxymethylbenzene is sourced from PubChem (CID 10591556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).