1-(6-azidohexoxy)-3-iodobenzene

C12H16IN3O — CID 163304387

IUPAC1-(6-azidohexoxy)-3-iodobenzene
SMILES[N-]=[N+]=NCCCCCCOc1cccc(I)c1
InChIInChI=1S/C12H16IN3O/c13-11-6-5-7-12(10-11)17-9-4-2-1-3-8-15-16-14/h5-7,10H,1-4,8-9H2
InChIKeyZZIJQYKEBOTVHG-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.54
Rot. Bonds8

About 1-(6-azidohexoxy)-3-iodobenzene

1-(6-azidohexoxy)-3-iodobenzene (PubChem CID 163304387) has the molecular formula C12H16IN3O and a molecular weight of 345.18 g/mol. Its IUPAC name is 1-(6-azidohexoxy)-3-iodobenzene.

Molecular Properties

Compound Name1-(6-azidohexoxy)-3-iodobenzene
PubChem CID163304387
Molecular FormulaC12H16IN3O
Molecular Weight345.18 g/mol
Exact Mass345.03
IUPAC Name1-(6-azidohexoxy)-3-iodobenzene
SMILES[N-]=[N+]=NCCCCCCOc1cccc(I)c1
InChIInChI=1S/C12H16IN3O/c13-11-6-5-7-12(10-11)17-9-4-2-1-3-8-15-16-14/h5-7,10H,1-4,8-9H2
InChIKeyZZIJQYKEBOTVHG-UHFFFAOYSA-N
XLogP4.54
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-azidohexoxy)-3-iodobenzene 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

1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
methyl 3-(3-azidopropoxy)benzoate
CID 54770673
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
CID 175804150
3,5-bis(6-azidohexoxy)benzoic acid
CID 177429182
3-(3-iodophenoxy)propanenitrile
CID 43087164
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
7-(3-azidopropoxy)quinoline
CID 107314475
6-(3-azidopropoxy)-1,2,3,4-tetrahydronaphthalene
CID 61398910
4-(3-iodophenoxy)butan-2-one
CID 62031790
1,4-bis(6-azidohexoxy)benzene;4-ethynyl-N,N-bis(4-ethynylphenyl)aniline;methane
CID 158669290

Frequently Asked Questions

What is the IUPAC name of 1-(6-azidohexoxy)-3-iodobenzene?
The IUPAC name of 1-(6-azidohexoxy)-3-iodobenzene (CID 163304387) is 1-(6-azidohexoxy)-3-iodobenzene.
What is the SMILES notation for 1-(6-azidohexoxy)-3-iodobenzene?
The canonical SMILES for 1-(6-azidohexoxy)-3-iodobenzene is [N-]=[N+]=NCCCCCCOc1cccc(I)c1.
What is the InChIKey of 1-(6-azidohexoxy)-3-iodobenzene?
The InChIKey is ZZIJQYKEBOTVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O/c13-11-6-5-7-12(10-11)17-9-4-2-1-3-8-15-16-14/h5-7,10H,1-4,8-9H2.
What are the key properties of 1-(6-azidohexoxy)-3-iodobenzene?
1-(6-azidohexoxy)-3-iodobenzene has a molecular weight of 345.18 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azidohexoxy)-3-iodobenzene is sourced from PubChem (CID 163304387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).