1-iodopropan-2-ol

C3H7IO — CID 13398828

IUPAC1-iodopropan-2-ol
SMILESCC(O)CI
InChIInChI=1S/C3H7IO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyPMHHCLXJMNLEIE-UHFFFAOYSA-N
MW185.99 g/mol
LogP0.80
Rot. Bonds1

About 1-iodopropan-2-ol

1-iodopropan-2-ol (PubChem CID 13398828) has the molecular formula C3H7IO and a molecular weight of 185.99 g/mol. Its IUPAC name is 1-iodopropan-2-ol.

Molecular Properties

Compound Name1-iodopropan-2-ol
PubChem CID13398828
Molecular FormulaC3H7IO
Molecular Weight185.99 g/mol
Exact Mass185.95
IUPAC Name1-iodopropan-2-ol
SMILESCC(O)CI
InChIInChI=1S/C3H7IO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKeyPMHHCLXJMNLEIE-UHFFFAOYSA-N
XLogP0.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.99
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodopropan-2-ol?
The IUPAC name of 1-iodopropan-2-ol (CID 13398828) is 1-iodopropan-2-ol.
What is the SMILES notation for 1-iodopropan-2-ol?
The canonical SMILES for 1-iodopropan-2-ol is CC(O)CI.
What is the InChIKey of 1-iodopropan-2-ol?
The InChIKey is PMHHCLXJMNLEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IO/c1-3(5)2-4/h3,5H,2H2,1H3.
What are the key properties of 1-iodopropan-2-ol?
1-iodopropan-2-ol has a molecular weight of 185.99 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopropan-2-ol is sourced from PubChem (CID 13398828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).