4-iodobutan-2-ol

C4H9IO — CID 13089079

IUPAC4-iodobutan-2-ol
SMILESCC(O)CCI
InChIInChI=1S/C4H9IO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3
InChIKeyFRITUKTYDGNWAY-UHFFFAOYSA-N
MW200.02 g/mol
LogP1.19
Rot. Bonds2

About 4-iodobutan-2-ol

4-iodobutan-2-ol (PubChem CID 13089079) has the molecular formula C4H9IO and a molecular weight of 200.02 g/mol. Its IUPAC name is 4-iodobutan-2-ol.

Molecular Properties

Compound Name4-iodobutan-2-ol
PubChem CID13089079
Molecular FormulaC4H9IO
Molecular Weight200.02 g/mol
Exact Mass199.97
IUPAC Name4-iodobutan-2-ol
SMILESCC(O)CCI
InChIInChI=1S/C4H9IO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3
InChIKeyFRITUKTYDGNWAY-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 4-iodobutan-2-ol?
The IUPAC name of 4-iodobutan-2-ol (CID 13089079) is 4-iodobutan-2-ol.
What is the SMILES notation for 4-iodobutan-2-ol?
The canonical SMILES for 4-iodobutan-2-ol is CC(O)CCI.
What is the InChIKey of 4-iodobutan-2-ol?
The InChIKey is FRITUKTYDGNWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3.
What are the key properties of 4-iodobutan-2-ol?
4-iodobutan-2-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 4-iodobutan-2-ol is sourced from PubChem (CID 13089079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).