1-(diazidomethyl)-4-phenoxybenzene

C13H10N6O — CID 141228774

IUPAC1-(diazidomethyl)-4-phenoxybenzene
SMILES[N-]=[N+]=NC(N=[N+]=[N-])c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10N6O/c14-18-16-13(17-19-15)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,13H
InChIKeyUPDRQUVBBHHMBJ-UHFFFAOYSA-N
MW266.26 g/mol
LogP5.10
Rot. Bonds5

About 1-(diazidomethyl)-4-phenoxybenzene

1-(diazidomethyl)-4-phenoxybenzene (PubChem CID 141228774) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(diazidomethyl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(diazidomethyl)-4-phenoxybenzene
PubChem CID141228774
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-(diazidomethyl)-4-phenoxybenzene
SMILES[N-]=[N+]=NC(N=[N+]=[N-])c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10N6O/c14-18-16-13(17-19-15)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,13H
InChIKeyUPDRQUVBBHHMBJ-UHFFFAOYSA-N
XLogP5.10
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.26
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(diazidomethyl)-4-phenoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160528674
CID 160528674
6-(1-azidoethyl)-2-(4-phenoxyphenoxy)-1,3-benzothiazole
CID 91178930
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
2-[4-(diazidomethyl)phenyl]benzonitrile
CID 169439504
4-phenoxyaniline
CID 158390066
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
CID 151834044
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060

Frequently Asked Questions

What is the IUPAC name of 1-(diazidomethyl)-4-phenoxybenzene?
The IUPAC name of 1-(diazidomethyl)-4-phenoxybenzene (CID 141228774) is 1-(diazidomethyl)-4-phenoxybenzene.
What is the SMILES notation for 1-(diazidomethyl)-4-phenoxybenzene?
The canonical SMILES for 1-(diazidomethyl)-4-phenoxybenzene is [N-]=[N+]=NC(N=[N+]=[N-])c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(diazidomethyl)-4-phenoxybenzene?
The InChIKey is UPDRQUVBBHHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c14-18-16-13(17-19-15)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,13H.
What are the key properties of 1-(diazidomethyl)-4-phenoxybenzene?
1-(diazidomethyl)-4-phenoxybenzene has a molecular weight of 266.26 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazidomethyl)-4-phenoxybenzene is sourced from PubChem (CID 141228774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).