3,3-dibromopropan-1-ol

C3H6Br2O — CID 19898353

IUPAC3,3-dibromopropan-1-ol
SMILESOCCC(Br)Br
InChIInChI=1S/C3H6Br2O/c4-3(5)1-2-6/h3,6H,1-2H2
InChIKeyZCBUYLKZMHYIDM-UHFFFAOYSA-N
MW217.89 g/mol
LogP1.48
Rot. Bonds2

About 3,3-dibromopropan-1-ol

3,3-dibromopropan-1-ol (PubChem CID 19898353) has the molecular formula C3H6Br2O and a molecular weight of 217.89 g/mol. Its IUPAC name is 3,3-dibromopropan-1-ol.

Molecular Properties

Compound Name3,3-dibromopropan-1-ol
PubChem CID19898353
Molecular FormulaC3H6Br2O
Molecular Weight217.89 g/mol
Exact Mass215.88
IUPAC Name3,3-dibromopropan-1-ol
SMILESOCCC(Br)Br
InChIInChI=1S/C3H6Br2O/c4-3(5)1-2-6/h3,6H,1-2H2
InChIKeyZCBUYLKZMHYIDM-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.89
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dibromopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromopropan-1-ol?
The IUPAC name of 3,3-dibromopropan-1-ol (CID 19898353) is 3,3-dibromopropan-1-ol.
What is the SMILES notation for 3,3-dibromopropan-1-ol?
The canonical SMILES for 3,3-dibromopropan-1-ol is OCCC(Br)Br.
What is the InChIKey of 3,3-dibromopropan-1-ol?
The InChIKey is ZCBUYLKZMHYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2O/c4-3(5)1-2-6/h3,6H,1-2H2.
What are the key properties of 3,3-dibromopropan-1-ol?
3,3-dibromopropan-1-ol has a molecular weight of 217.89 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromopropan-1-ol is sourced from PubChem (CID 19898353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).