[azido(phenyl)methoxy]methylbenzene

C14H13N3O — CID 11287883

IUPAC[azido(phenyl)methoxy]methylbenzene
SMILES[N-]=[N+]=NC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-17-16-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyARIBAKXCJQZBBO-UHFFFAOYSA-N
MW239.28 g/mol
LogP4.21
Rot. Bonds5

About [azido(phenyl)methoxy]methylbenzene

[azido(phenyl)methoxy]methylbenzene (PubChem CID 11287883) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is [azido(phenyl)methoxy]methylbenzene.

Molecular Properties

Compound Name[azido(phenyl)methoxy]methylbenzene
PubChem CID11287883
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name[azido(phenyl)methoxy]methylbenzene
SMILES[N-]=[N+]=NC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-17-16-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyARIBAKXCJQZBBO-UHFFFAOYSA-N
XLogP4.21
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 54.21
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(phenyl)methoxy]methylbenzene?
The IUPAC name of [azido(phenyl)methoxy]methylbenzene (CID 11287883) is [azido(phenyl)methoxy]methylbenzene.
What is the SMILES notation for [azido(phenyl)methoxy]methylbenzene?
The canonical SMILES for [azido(phenyl)methoxy]methylbenzene is [N-]=[N+]=NC(OCc1ccccc1)c1ccccc1.
What is the InChIKey of [azido(phenyl)methoxy]methylbenzene?
The InChIKey is ARIBAKXCJQZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-17-16-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of [azido(phenyl)methoxy]methylbenzene?
[azido(phenyl)methoxy]methylbenzene has a molecular weight of 239.28 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(phenyl)methoxy]methylbenzene is sourced from PubChem (CID 11287883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).