(3-aminophenoxy)-oxo-phenylphosphanium

C12H11NO2P+ — CID 67417631

IUPAC(3-aminophenoxy)-oxo-phenylphosphanium
SMILESNc1cccc(O[P+](=O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2P/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-9H,13H2/q+1
InChIKeyWIWOJVXIAZHGDO-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.72
Rot. Bonds3

About (3-aminophenoxy)-oxo-phenylphosphanium

(3-aminophenoxy)-oxo-phenylphosphanium (PubChem CID 67417631) has the molecular formula C12H11NO2P+ and a molecular weight of 232.20 g/mol. Its IUPAC name is (3-aminophenoxy)-oxo-phenylphosphanium.

Molecular Properties

Compound Name(3-aminophenoxy)-oxo-phenylphosphanium
PubChem CID67417631
Molecular FormulaC12H11NO2P+
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name(3-aminophenoxy)-oxo-phenylphosphanium
SMILESNc1cccc(O[P+](=O)c2ccccc2)c1
InChIInChI=1S/C12H11NO2P/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-9H,13H2/q+1
InChIKeyWIWOJVXIAZHGDO-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenoxy)-oxo-phenylphosphanium?
The IUPAC name of (3-aminophenoxy)-oxo-phenylphosphanium (CID 67417631) is (3-aminophenoxy)-oxo-phenylphosphanium.
What is the SMILES notation for (3-aminophenoxy)-oxo-phenylphosphanium?
The canonical SMILES for (3-aminophenoxy)-oxo-phenylphosphanium is Nc1cccc(O[P+](=O)c2ccccc2)c1.
What is the InChIKey of (3-aminophenoxy)-oxo-phenylphosphanium?
The InChIKey is WIWOJVXIAZHGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2P/c13-10-5-4-6-11(9-10)15-16(14)12-7-2-1-3-8-12/h1-9H,13H2/q+1.
What are the key properties of (3-aminophenoxy)-oxo-phenylphosphanium?
(3-aminophenoxy)-oxo-phenylphosphanium has a molecular weight of 232.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenoxy)-oxo-phenylphosphanium is sourced from PubChem (CID 67417631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).