1,3-dibromopropan-1-ol

C3H6Br2O — CID 18177636

IUPAC1,3-dibromopropan-1-ol
SMILESOC(Br)CCBr
InChIInChI=1S/C3H6Br2O/c4-2-1-3(5)6/h3,6H,1-2H2
InChIKeyFVTJEGVVTTZGHD-UHFFFAOYSA-N
MW217.89 g/mol
LogP1.48
Rot. Bonds2

About 1,3-dibromopropan-1-ol

1,3-dibromopropan-1-ol (PubChem CID 18177636) has the molecular formula C3H6Br2O and a molecular weight of 217.89 g/mol. Its IUPAC name is 1,3-dibromopropan-1-ol.

Molecular Properties

Compound Name1,3-dibromopropan-1-ol
PubChem CID18177636
Molecular FormulaC3H6Br2O
Molecular Weight217.89 g/mol
Exact Mass215.88
IUPAC Name1,3-dibromopropan-1-ol
SMILESOC(Br)CCBr
InChIInChI=1S/C3H6Br2O/c4-2-1-3(5)6/h3,6H,1-2H2
InChIKeyFVTJEGVVTTZGHD-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 1,3-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

Related Compounds

2,3-Dibromo-1-propanol
CID 7281
3-Bromo-1-propanol
CID 12308
1,3-Dibromo-2-propanol
CID 7287
3-Bromo-2-fluoropropan-1-ol
CID 14364400
(2S)-2,3-dibromopropan-1-ol
CID 641235
Ethanol, 2,2-dibromo-
CID 123582
3-Bromo(~2~H_6_)propan-1-ol
CID 59596021
3-Bromo(~13~C_3_)propan-1-ol
CID 71309532
Bromopropanol
CID 12887879
2-Propanol, 1,1,3-tribromo-
CID 521868
1,2-Dibromopropanol
CID 19079970
3-Dibrompropanol
CID 19898353

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromopropan-1-ol?
The IUPAC name of 1,3-dibromopropan-1-ol (CID 18177636) is 1,3-dibromopropan-1-ol.
What is the SMILES notation for 1,3-dibromopropan-1-ol?
The canonical SMILES for 1,3-dibromopropan-1-ol is OC(Br)CCBr.
What is the InChIKey of 1,3-dibromopropan-1-ol?
The InChIKey is FVTJEGVVTTZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2O/c4-2-1-3(5)6/h3,6H,1-2H2.
What are the key properties of 1,3-dibromopropan-1-ol?
1,3-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 1,3-dibromopropan-1-ol is sourced from PubChem (CID 18177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).