3-(iodomethoxy)propan-1-ol

C4H9IO2 — CID 89078157

IUPAC3-(iodomethoxy)propan-1-ol
SMILESOCCCOCI
InChIInChI=1S/C4H9IO2/c5-4-7-3-1-2-6/h6H,1-4H2
InChIKeyWCZLBWBMNVFPKS-UHFFFAOYSA-N
MW216.02 g/mol
LogP0.78
Rot. Bonds4

About 3-(iodomethoxy)propan-1-ol

3-(iodomethoxy)propan-1-ol (PubChem CID 89078157) has the molecular formula C4H9IO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is 3-(iodomethoxy)propan-1-ol.

Molecular Properties

Compound Name3-(iodomethoxy)propan-1-ol
PubChem CID89078157
Molecular FormulaC4H9IO2
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Name3-(iodomethoxy)propan-1-ol
SMILESOCCCOCI
InChIInChI=1S/C4H9IO2/c5-4-7-3-1-2-6/h6H,1-4H2
InChIKeyWCZLBWBMNVFPKS-UHFFFAOYSA-N
XLogP0.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol
CID 171055863
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
CID 22714862
CID 22714862

Frequently Asked Questions

What is the IUPAC name of 3-(iodomethoxy)propan-1-ol?
The IUPAC name of 3-(iodomethoxy)propan-1-ol (CID 89078157) is 3-(iodomethoxy)propan-1-ol.
What is the SMILES notation for 3-(iodomethoxy)propan-1-ol?
The canonical SMILES for 3-(iodomethoxy)propan-1-ol is OCCCOCI.
What is the InChIKey of 3-(iodomethoxy)propan-1-ol?
The InChIKey is WCZLBWBMNVFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO2/c5-4-7-3-1-2-6/h6H,1-4H2.
What are the key properties of 3-(iodomethoxy)propan-1-ol?
3-(iodomethoxy)propan-1-ol has a molecular weight of 216.02 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iodomethoxy)propan-1-ol is sourced from PubChem (CID 89078157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).