2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium

C10H13NO5P+ — CID 174491514

IUPAC2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium
SMILESNCCO[P+](=O)Oc1ccccc1COC=O
InChIInChI=1S/C10H13NO5P/c11-5-6-15-17(13)16-10-4-2-1-3-9(10)7-14-8-12/h1-4,8H,5-7,11H2/q+1
InChIKeyQEYQYXVIGGXZKE-UHFFFAOYSA-N
MW258.19 g/mol
LogP1.37
Rot. Bonds8

About 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium

2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium (PubChem CID 174491514) has the molecular formula C10H13NO5P+ and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium.

Molecular Properties

Compound Name2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium
PubChem CID174491514
Molecular FormulaC10H13NO5P+
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium
SMILESNCCO[P+](=O)Oc1ccccc1COC=O
InChIInChI=1S/C10H13NO5P/c11-5-6-15-17(13)16-10-4-2-1-3-9(10)7-14-8-12/h1-4,8H,5-7,11H2/q+1
InChIKeyQEYQYXVIGGXZKE-UHFFFAOYSA-N
XLogP1.37
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium?
The IUPAC name of 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium (CID 174491514) is 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium.
What is the SMILES notation for 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium?
The canonical SMILES for 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium is NCCO[P+](=O)Oc1ccccc1COC=O.
What is the InChIKey of 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium?
The InChIKey is QEYQYXVIGGXZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5P/c11-5-6-15-17(13)16-10-4-2-1-3-9(10)7-14-8-12/h1-4,8H,5-7,11H2/q+1.
What are the key properties of 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium?
2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium has a molecular weight of 258.19 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy-[2-(formyloxymethyl)phenoxy]-oxophosphanium is sourced from PubChem (CID 174491514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).