[azido(methoxy)methyl]benzene

C8H9N3O — CID 11217423

IUPAC[azido(methoxy)methyl]benzene
SMILESCOC(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H9N3O/c1-12-8(10-11-9)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyJLIDIMMHPYLDHH-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.64
Rot. Bonds3

About [azido(methoxy)methyl]benzene

[azido(methoxy)methyl]benzene (PubChem CID 11217423) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is [azido(methoxy)methyl]benzene.

Molecular Properties

Compound Name[azido(methoxy)methyl]benzene
PubChem CID11217423
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name[azido(methoxy)methyl]benzene
SMILESCOC(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H9N3O/c1-12-8(10-11-9)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyJLIDIMMHPYLDHH-UHFFFAOYSA-N
XLogP2.64
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [azido(methoxy)methyl]benzene?
The IUPAC name of [azido(methoxy)methyl]benzene (CID 11217423) is [azido(methoxy)methyl]benzene.
What is the SMILES notation for [azido(methoxy)methyl]benzene?
The canonical SMILES for [azido(methoxy)methyl]benzene is COC(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of [azido(methoxy)methyl]benzene?
The InChIKey is JLIDIMMHPYLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-8(10-11-9)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of [azido(methoxy)methyl]benzene?
[azido(methoxy)methyl]benzene has a molecular weight of 163.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(methoxy)methyl]benzene is sourced from PubChem (CID 11217423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).