2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium

C13H23NO5P+ — CID 10881215

IUPAC2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)OCCOc1ccccc1
InChIInChI=1S/C13H22NO5P/c1-14(2,3)9-10-18-20(15,16)19-12-11-17-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1
InChIKeyZDINIBUTXZLOHM-UHFFFAOYSA-O
MW304.30 g/mol
LogP1.91
Rot. Bonds9

About 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 10881215) has the molecular formula C13H23NO5P+ and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID10881215
Molecular FormulaC13H23NO5P+
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)OCCOc1ccccc1
InChIInChI=1S/C13H22NO5P/c1-14(2,3)9-10-18-20(15,16)19-12-11-17-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1
InChIKeyZDINIBUTXZLOHM-UHFFFAOYSA-O
XLogP1.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy-[2-(4-octadecoxyphenyl)ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 142741366
2-[hydroxy-[2-(3-octadecoxyphenyl)ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 142741390
[(2R)-2,3-diphenoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 68911842
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 19380802
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550
2-[hydroxy(2-prop-2-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 22568162
2-[2,3-bis(2-methylphenoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 175436489
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
2-[hydroxy-[4-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]butoxy]phosphoryl]oxyethyl-trimethylazanium
CID 102414878
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium (CID 10881215) is 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium is C[N+](C)(C)CCOP(=O)(O)OCCOc1ccccc1.
What is the InChIKey of 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is ZDINIBUTXZLOHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22NO5P/c1-14(2,3)9-10-18-20(15,16)19-12-11-17-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/p+1.
What are the key properties of 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 304.30 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 10881215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).