2-iodobutan-1-ol

C4H9IO — CID 543230

IUPAC2-iodobutan-1-ol
SMILESCCC(I)CO
InChIInChI=1S/C4H9IO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3
InChIKeyGVYHZUNZPGWEPZ-UHFFFAOYSA-N
MW200.02 g/mol
LogP1.19
Rot. Bonds2

About 2-iodobutan-1-ol

2-iodobutan-1-ol (PubChem CID 543230) has the molecular formula C4H9IO and a molecular weight of 200.02 g/mol. Its IUPAC name is 2-iodobutan-1-ol.

Molecular Properties

Compound Name2-iodobutan-1-ol
PubChem CID543230
Molecular FormulaC4H9IO
Molecular Weight200.02 g/mol
Exact Mass199.97
IUPAC Name2-iodobutan-1-ol
SMILESCCC(I)CO
InChIInChI=1S/C4H9IO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3
InChIKeyGVYHZUNZPGWEPZ-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 51.19
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 2-iodobutan-1-ol?
The IUPAC name of 2-iodobutan-1-ol (CID 543230) is 2-iodobutan-1-ol.
What is the SMILES notation for 2-iodobutan-1-ol?
The canonical SMILES for 2-iodobutan-1-ol is CCC(I)CO.
What is the InChIKey of 2-iodobutan-1-ol?
The InChIKey is GVYHZUNZPGWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3.
What are the key properties of 2-iodobutan-1-ol?
2-iodobutan-1-ol has a molecular weight of 200.02 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobutan-1-ol is sourced from PubChem (CID 543230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).