4-phenylmethoxybenzenediazonium

C13H11N2O+ — CID 12615870

IUPAC4-phenylmethoxybenzenediazonium
SMILESN#[N+]c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11N2O/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2/q+1
InChIKeyCJZQPKDPVRUUTD-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.75
Rot. Bonds3

About 4-phenylmethoxybenzenediazonium

4-phenylmethoxybenzenediazonium (PubChem CID 12615870) has the molecular formula C13H11N2O+ and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-phenylmethoxybenzenediazonium.

Molecular Properties

Compound Name4-phenylmethoxybenzenediazonium
PubChem CID12615870
Molecular FormulaC13H11N2O+
Molecular Weight211.24 g/mol
Exact Mass211.09
IUPAC Name4-phenylmethoxybenzenediazonium
SMILESN#[N+]c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H11N2O/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2/q+1
InChIKeyCJZQPKDPVRUUTD-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxybenzenediazonium?
The IUPAC name of 4-phenylmethoxybenzenediazonium (CID 12615870) is 4-phenylmethoxybenzenediazonium.
What is the SMILES notation for 4-phenylmethoxybenzenediazonium?
The canonical SMILES for 4-phenylmethoxybenzenediazonium is N#[N+]c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxybenzenediazonium?
The InChIKey is CJZQPKDPVRUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2/q+1.
What are the key properties of 4-phenylmethoxybenzenediazonium?
4-phenylmethoxybenzenediazonium has a molecular weight of 211.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybenzenediazonium is sourced from PubChem (CID 12615870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).