2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate

C13H11BF4N2O2 — CID 10358241

IUPAC2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate
SMILESCOc1ccc(Oc2ccccc2[N+]#N)cc1.F[B-](F)(F)F
InChIInChI=1S/C13H11N2O2.BF4/c1-16-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)15-14;2-1(3,4)5/h2-9H,1H3;/q+1;-1
InChIKeyRKCHOJNGRRHEEC-UHFFFAOYSA-N
MW314.05 g/mol
LogP5.27
Rot. Bonds3

About 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate

2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate (PubChem CID 10358241) has the molecular formula C13H11BF4N2O2 and a molecular weight of 314.05 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate
PubChem CID10358241
Molecular FormulaC13H11BF4N2O2
Molecular Weight314.05 g/mol
Exact Mass314.08
IUPAC Name2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate
SMILESCOc1ccc(Oc2ccccc2[N+]#N)cc1.F[B-](F)(F)F
InChIInChI=1S/C13H11N2O2.BF4/c1-16-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)15-14;2-1(3,4)5/h2-9H,1H3;/q+1;-1
InChIKeyRKCHOJNGRRHEEC-UHFFFAOYSA-N
XLogP5.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.05
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)benzenediazonium
CID 10358242
2-methoxybenzenediazonium chloride
CID 10920957
2,3-dimethoxybenzenediazonium tetratetrafluoroborate
CID 173431119
4-methoxy-2-(trifluoromethyl)benzenediazonium tetrafluoroborate
CID 22601717
2-(4-methoxyphenoxy)phenol
CID 54145402
5-methyl-2-phenoxybenzenediazonium
CID 10399706
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
2-[2-(4-methoxyphenyl)ethynyl]benzenediazonium
CID 101251401
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-[[2-(4-methoxyphenoxy)anilino]methylidene]propanedinitrile
CID 168542179
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate?
The IUPAC name of 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate (CID 10358241) is 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate?
The canonical SMILES for 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate is COc1ccc(Oc2ccccc2[N+]#N)cc1.F[B-](F)(F)F.
What is the InChIKey of 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate?
The InChIKey is RKCHOJNGRRHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O2.BF4/c1-16-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)15-14;2-1(3,4)5/h2-9H,1H3;/q+1;-1.
What are the key properties of 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate?
2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate has a molecular weight of 314.05 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 10358241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).