2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium

C11H18N3O3P+2 — CID 175114145

IUPAC2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(O)Oc1ccc([N+]#N)cc1
InChIInChI=1S/C11H18N3O3P/c1-14(2,3)8-9-16-18(15)17-11-6-4-10(13-12)5-7-11/h4-7,15H,8-9H2,1-3H3/q+2
InChIKeyHGMMSXSBHKYYIP-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.49
Rot. Bonds6

About 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium

2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium (PubChem CID 175114145) has the molecular formula C11H18N3O3P+2 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
PubChem CID175114145
Molecular FormulaC11H18N3O3P+2
Molecular Weight271.26 g/mol
Exact Mass271.11
IUPAC Name2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(O)Oc1ccc([N+]#N)cc1
InChIInChI=1S/C11H18N3O3P/c1-14(2,3)8-9-16-18(15)17-11-6-4-10(13-12)5-7-11/h4-7,15H,8-9H2,1-3H3/q+2
InChIKeyHGMMSXSBHKYYIP-UHFFFAOYSA-N
XLogP2.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium (CID 175114145) is 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium is C[N+](C)(C)CCOP(O)Oc1ccc([N+]#N)cc1.
What is the InChIKey of 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The InChIKey is HGMMSXSBHKYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O3P/c1-14(2,3)8-9-16-18(15)17-11-6-4-10(13-12)5-7-11/h4-7,15H,8-9H2,1-3H3/q+2.
What are the key properties of 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium has a molecular weight of 271.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-diazoniophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 175114145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).