5-methyl-2-phenoxybenzenediazonium

C13H11N2O+ — CID 10399706

IUPAC5-methyl-2-phenoxybenzenediazonium
SMILESCc1ccc(Oc2ccccc2)c([N+]#N)c1
InChIInChI=1S/C13H11N2O/c1-10-7-8-13(12(9-10)15-14)16-11-5-3-2-4-6-11/h2-9H,1H3/q+1
InChIKeyMELDIXGCZCULFC-UHFFFAOYSA-N
MW211.24 g/mol
LogP4.27
Rot. Bonds2

About 5-methyl-2-phenoxybenzenediazonium

5-methyl-2-phenoxybenzenediazonium (PubChem CID 10399706) has the molecular formula C13H11N2O+ and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-methyl-2-phenoxybenzenediazonium.

Molecular Properties

Compound Name5-methyl-2-phenoxybenzenediazonium
PubChem CID10399706
Molecular FormulaC13H11N2O+
Molecular Weight211.24 g/mol
Exact Mass211.09
IUPAC Name5-methyl-2-phenoxybenzenediazonium
SMILESCc1ccc(Oc2ccccc2)c([N+]#N)c1
InChIInChI=1S/C13H11N2O/c1-10-7-8-13(12(9-10)15-14)16-11-5-3-2-4-6-11/h2-9H,1H3/q+1
InChIKeyMELDIXGCZCULFC-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
2-(4-methoxyphenoxy)benzenediazonium
CID 10358242
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
2-(4-methoxyphenoxy)benzenediazonium tetrafluoroborate
CID 10358241
2,5-dimethylbenzenediazonium chloride
CID 12583461
2,5-diethoxy-4-phenoxybenzenediazonium;hydrogen sulfate
CID 86032613
methyl N'-(5-methyl-2-phenoxyphenyl)carbamimidothioate;hydroiodide
CID 70527822
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenoxybenzenediazonium?
The IUPAC name of 5-methyl-2-phenoxybenzenediazonium (CID 10399706) is 5-methyl-2-phenoxybenzenediazonium.
What is the SMILES notation for 5-methyl-2-phenoxybenzenediazonium?
The canonical SMILES for 5-methyl-2-phenoxybenzenediazonium is Cc1ccc(Oc2ccccc2)c([N+]#N)c1.
What is the InChIKey of 5-methyl-2-phenoxybenzenediazonium?
The InChIKey is MELDIXGCZCULFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O/c1-10-7-8-13(12(9-10)15-14)16-11-5-3-2-4-6-11/h2-9H,1H3/q+1.
What are the key properties of 5-methyl-2-phenoxybenzenediazonium?
5-methyl-2-phenoxybenzenediazonium has a molecular weight of 211.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenoxybenzenediazonium is sourced from PubChem (CID 10399706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).