phenoxyazanium

C6H8NO+ — CID 3773936

IUPACphenoxyazanium
SMILES[NH3+]Oc1ccccc1
InChIInChI=1S/C6H8NO/c7-8-6-4-2-1-3-5-6/h1-5H,7H3/q+1
InChIKeyKIXIWXOQSLMDSX-UHFFFAOYSA-N
MW110.14 g/mol
LogP0.22
Rot. Bonds1

About phenoxyazanium

phenoxyazanium (PubChem CID 3773936) has the molecular formula C6H8NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is phenoxyazanium.

Molecular Properties

Compound Namephenoxyazanium
PubChem CID3773936
Molecular FormulaC6H8NO+
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Namephenoxyazanium
SMILES[NH3+]Oc1ccccc1
InChIInChI=1S/C6H8NO/c7-8-6-4-2-1-3-5-6/h1-5H,7H3/q+1
InChIKeyKIXIWXOQSLMDSX-UHFFFAOYSA-N
XLogP0.22
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenol
CID 996
Phenolate Sodium
CID 4445035
Nitrophenols
CID 88473196
Mercufenol Chloride
CID 6999
Phenol sulfate
CID 74426
Sodium phenoxide
CID 66602278
Phenyl phosphorodiamidate
CID 81954
Hydron phenoxide
CID 20488062
Phenol-d6
CID 123295
Mercury, chloro(4-hydroxyphenyl)-
CID 12164
Phenylsulfamate
CID 11030308
Phosphorodichloridous acid, phenyl ester
CID 18908

Frequently Asked Questions

What is the IUPAC name of phenoxyazanium?
The IUPAC name of phenoxyazanium (CID 3773936) is phenoxyazanium.
What is the SMILES notation for phenoxyazanium?
The canonical SMILES for phenoxyazanium is [NH3+]Oc1ccccc1.
What is the InChIKey of phenoxyazanium?
The InChIKey is KIXIWXOQSLMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO/c7-8-6-4-2-1-3-5-6/h1-5H,7H3/q+1.
What are the key properties of phenoxyazanium?
phenoxyazanium has a molecular weight of 110.14 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxyazanium is sourced from PubChem (CID 3773936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).