1-iodo-2-(propa-1,2-dienoxymethyl)benzene

C10H9IO — CID 11065564

IUPAC1-iodo-2-(propa-1,2-dienoxymethyl)benzene
SMILESC=C=COCc1ccccc1I
InChIInChI=1S/C10H9IO/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-7H,1,8H2
InChIKeyWFZNCDBOZCZMFY-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.11
Rot. Bonds3

About 1-iodo-2-(propa-1,2-dienoxymethyl)benzene

1-iodo-2-(propa-1,2-dienoxymethyl)benzene (PubChem CID 11065564) has the molecular formula C10H9IO and a molecular weight of 272.09 g/mol. Its IUPAC name is 1-iodo-2-(propa-1,2-dienoxymethyl)benzene.

Molecular Properties

Compound Name1-iodo-2-(propa-1,2-dienoxymethyl)benzene
PubChem CID11065564
Molecular FormulaC10H9IO
Molecular Weight272.09 g/mol
Exact Mass271.97
IUPAC Name1-iodo-2-(propa-1,2-dienoxymethyl)benzene
SMILESC=C=COCc1ccccc1I
InChIInChI=1S/C10H9IO/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-7H,1,8H2
InChIKeyWFZNCDBOZCZMFY-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(propa-1,2-dienoxymethyl)benzene?
The IUPAC name of 1-iodo-2-(propa-1,2-dienoxymethyl)benzene (CID 11065564) is 1-iodo-2-(propa-1,2-dienoxymethyl)benzene.
What is the SMILES notation for 1-iodo-2-(propa-1,2-dienoxymethyl)benzene?
The canonical SMILES for 1-iodo-2-(propa-1,2-dienoxymethyl)benzene is C=C=COCc1ccccc1I.
What is the InChIKey of 1-iodo-2-(propa-1,2-dienoxymethyl)benzene?
The InChIKey is WFZNCDBOZCZMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-7H,1,8H2.
What are the key properties of 1-iodo-2-(propa-1,2-dienoxymethyl)benzene?
1-iodo-2-(propa-1,2-dienoxymethyl)benzene has a molecular weight of 272.09 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(propa-1,2-dienoxymethyl)benzene is sourced from PubChem (CID 11065564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).