anilinooxy-oxo-(2-phenylethoxy)phosphanium

C14H15NO3P+ — CID 175309217

IUPACanilinooxy-oxo-(2-phenylethoxy)phosphanium
SMILESO=[P+](OCCc1ccccc1)ONc1ccccc1
InChIInChI=1S/C14H15NO3P/c16-19(18-15-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q+1
InChIKeyFCUKMMYPEPZEIH-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.95
Rot. Bonds7

About anilinooxy-oxo-(2-phenylethoxy)phosphanium

anilinooxy-oxo-(2-phenylethoxy)phosphanium (PubChem CID 175309217) has the molecular formula C14H15NO3P+ and a molecular weight of 276.25 g/mol. Its IUPAC name is anilinooxy-oxo-(2-phenylethoxy)phosphanium.

Molecular Properties

Compound Nameanilinooxy-oxo-(2-phenylethoxy)phosphanium
PubChem CID175309217
Molecular FormulaC14H15NO3P+
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Nameanilinooxy-oxo-(2-phenylethoxy)phosphanium
SMILESO=[P+](OCCc1ccccc1)ONc1ccccc1
InChIInChI=1S/C14H15NO3P/c16-19(18-15-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q+1
InChIKeyFCUKMMYPEPZEIH-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze anilinooxy-oxo-(2-phenylethoxy)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
CID 58731637
CID 58731637
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
2-methoxyethylbenzene
CID 19089
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-phosphorosooxyethylbenzene
CID 23393054
dioxido(oxo)phosphanium;bis(2-phenylethylazanium)
CID 160857650

Frequently Asked Questions

What is the IUPAC name of anilinooxy-oxo-(2-phenylethoxy)phosphanium?
The IUPAC name of anilinooxy-oxo-(2-phenylethoxy)phosphanium (CID 175309217) is anilinooxy-oxo-(2-phenylethoxy)phosphanium.
What is the SMILES notation for anilinooxy-oxo-(2-phenylethoxy)phosphanium?
The canonical SMILES for anilinooxy-oxo-(2-phenylethoxy)phosphanium is O=[P+](OCCc1ccccc1)ONc1ccccc1.
What is the InChIKey of anilinooxy-oxo-(2-phenylethoxy)phosphanium?
The InChIKey is FCUKMMYPEPZEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3P/c16-19(18-15-14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q+1.
What are the key properties of anilinooxy-oxo-(2-phenylethoxy)phosphanium?
anilinooxy-oxo-(2-phenylethoxy)phosphanium has a molecular weight of 276.25 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilinooxy-oxo-(2-phenylethoxy)phosphanium is sourced from PubChem (CID 175309217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).