propan-1-ol;hydroiodide

C3H9IO — CID 126649388

IUPACpropan-1-ol;hydroiodide
SMILESCCCO.I
InChIInChI=1S/C3H8O.HI/c1-2-3-4;/h4H,2-3H2,1H3;1H
InChIKeyAVFGVEMQJJHFGJ-UHFFFAOYSA-N
MW188.01 g/mol
LogP1.01
Rot. Bonds1

About propan-1-ol;hydroiodide

propan-1-ol;hydroiodide (PubChem CID 126649388) has the molecular formula C3H9IO and a molecular weight of 188.01 g/mol. Its IUPAC name is propan-1-ol;hydroiodide.

Molecular Properties

Compound Namepropan-1-ol;hydroiodide
PubChem CID126649388
Molecular FormulaC3H9IO
Molecular Weight188.01 g/mol
Exact Mass187.97
IUPAC Namepropan-1-ol;hydroiodide
SMILESCCCO.I
InChIInChI=1S/C3H8O.HI/c1-2-3-4;/h4H,2-3H2,1H3;1H
InChIKeyAVFGVEMQJJHFGJ-UHFFFAOYSA-N
XLogP1.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.01
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6391766
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methanol;propan-1-ol;zinc
CID 150799125
tris(propan-1-ol);zirconium;chloride
CID 18944786
methane;bis(propan-1-ol);tungsten
CID 161195602
sodium;propan-1-ol;iodide
CID 174317067
tris(propan-1-ol);vanadium(2+);dichloride
CID 88503682
cobalt;propan-1-ol;hydrochloride
CID 87992345

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;hydroiodide?
The IUPAC name of propan-1-ol;hydroiodide (CID 126649388) is propan-1-ol;hydroiodide.
What is the SMILES notation for propan-1-ol;hydroiodide?
The canonical SMILES for propan-1-ol;hydroiodide is CCCO.I.
What is the InChIKey of propan-1-ol;hydroiodide?
The InChIKey is AVFGVEMQJJHFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.HI/c1-2-3-4;/h4H,2-3H2,1H3;1H.
What are the key properties of propan-1-ol;hydroiodide?
propan-1-ol;hydroiodide has a molecular weight of 188.01 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;hydroiodide is sourced from PubChem (CID 126649388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).