ethyl-formyl-diphenoxyazanium

C15H16NO3+ — CID 88807310

IUPACethyl-formyl-diphenoxyazanium
SMILESCC[N+](C=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H16NO3/c1-2-16(13-17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,2H2,1H3/q+1
InChIKeyRXTGPLZNJVHMDI-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.97
Rot. Bonds6

About ethyl-formyl-diphenoxyazanium

ethyl-formyl-diphenoxyazanium (PubChem CID 88807310) has the molecular formula C15H16NO3+ and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl-formyl-diphenoxyazanium.

Molecular Properties

Compound Nameethyl-formyl-diphenoxyazanium
PubChem CID88807310
Molecular FormulaC15H16NO3+
Molecular Weight258.30 g/mol
Exact Mass258.11
IUPAC Nameethyl-formyl-diphenoxyazanium
SMILESCC[N+](C=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H16NO3/c1-2-16(13-17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,2H2,1H3/q+1
InChIKeyRXTGPLZNJVHMDI-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-formyl-diphenoxyazanium?
The IUPAC name of ethyl-formyl-diphenoxyazanium (CID 88807310) is ethyl-formyl-diphenoxyazanium.
What is the SMILES notation for ethyl-formyl-diphenoxyazanium?
The canonical SMILES for ethyl-formyl-diphenoxyazanium is CC[N+](C=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethyl-formyl-diphenoxyazanium?
The InChIKey is RXTGPLZNJVHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO3/c1-2-16(13-17,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,2H2,1H3/q+1.
What are the key properties of ethyl-formyl-diphenoxyazanium?
ethyl-formyl-diphenoxyazanium has a molecular weight of 258.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-formyl-diphenoxyazanium is sourced from PubChem (CID 88807310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).