1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene

C11H14IN3O2 — CID 175804150

IUPAC1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
SMILES[N-]=[N+]=NCCOCCOc1cccc(CI)c1
InChIInChI=1S/C11H14IN3O2/c12-9-10-2-1-3-11(8-10)17-7-6-16-5-4-14-15-13/h1-3,8H,4-7,9H2
InChIKeyLUIHTTFIGAYRAG-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.33
Rot. Bonds8

About 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene

1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene (PubChem CID 175804150) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene.

Molecular Properties

Compound Name1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
PubChem CID175804150
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
SMILES[N-]=[N+]=NCCOCCOc1cccc(CI)c1
InChIInChI=1S/C11H14IN3O2/c12-9-10-2-1-3-11(8-10)17-7-6-16-5-4-14-15-13/h1-3,8H,4-7,9H2
InChIKeyLUIHTTFIGAYRAG-UHFFFAOYSA-N
XLogP3.33
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
1-(6-azidohexoxy)-3-iodobenzene
CID 163304387
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 71551922
2-azidoethoxymethylbenzene
CID 11116596
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
methyl (2R)-2-amino-3-[[3-(2-azidoethoxy)phenyl]methylsulfanyl]propanoate
CID 158918735
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene?
The IUPAC name of 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene (CID 175804150) is 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene.
What is the SMILES notation for 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene?
The canonical SMILES for 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene is [N-]=[N+]=NCCOCCOc1cccc(CI)c1.
What is the InChIKey of 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene?
The InChIKey is LUIHTTFIGAYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c12-9-10-2-1-3-11(8-10)17-7-6-16-5-4-14-15-13/h1-3,8H,4-7,9H2.
What are the key properties of 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene?
1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene has a molecular weight of 347.16 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene is sourced from PubChem (CID 175804150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).