[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene

C14H19IO3 — CID 71430008

IUPAC[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene
SMILESCCOC(C)OC(C=CI)COc1ccccc1
InChIInChI=1S/C14H19IO3/c1-3-16-12(2)18-14(9-10-15)11-17-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3
InChIKeyZOICNKLVZXNGQC-UHFFFAOYSA-N
MW362.21 g/mol
LogP3.78
Rot. Bonds8

About [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene

[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene (PubChem CID 71430008) has the molecular formula C14H19IO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene.

Molecular Properties

Compound Name[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene
PubChem CID71430008
Molecular FormulaC14H19IO3
Molecular Weight362.21 g/mol
Exact Mass362.04
IUPAC Name[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene
SMILESCCOC(C)OC(C=CI)COc1ccccc1
InChIInChI=1S/C14H19IO3/c1-3-16-12(2)18-14(9-10-15)11-17-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3
InChIKeyZOICNKLVZXNGQC-UHFFFAOYSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene?
The IUPAC name of [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene (CID 71430008) is [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene.
What is the SMILES notation for [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene?
The canonical SMILES for [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene is CCOC(C)OC(C=CI)COc1ccccc1.
What is the InChIKey of [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene?
The InChIKey is ZOICNKLVZXNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO3/c1-3-16-12(2)18-14(9-10-15)11-17-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3.
What are the key properties of [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene?
[2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene has a molecular weight of 362.21 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethoxy)-4-iodobut-3-enoxy]benzene is sourced from PubChem (CID 71430008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).