3-bromoprop-1-en-2-ol

C3H5BrO — CID 12610769

IUPAC3-bromoprop-1-en-2-ol
SMILESC=C(O)CBr
InChIInChI=1S/C3H5BrO/c1-3(5)2-4/h5H,1-2H2
InChIKeyXIANZLYPUVDLFM-UHFFFAOYSA-N
MW136.98 g/mol
LogP1.45
Rot. Bonds1

About 3-bromoprop-1-en-2-ol

3-bromoprop-1-en-2-ol (PubChem CID 12610769) has the molecular formula C3H5BrO and a molecular weight of 136.98 g/mol. Its IUPAC name is 3-bromoprop-1-en-2-ol.

Molecular Properties

Compound Name3-bromoprop-1-en-2-ol
PubChem CID12610769
Molecular FormulaC3H5BrO
Molecular Weight136.98 g/mol
Exact Mass135.95
IUPAC Name3-bromoprop-1-en-2-ol
SMILESC=C(O)CBr
InChIInChI=1S/C3H5BrO/c1-3(5)2-4/h5H,1-2H2
InChIKeyXIANZLYPUVDLFM-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.98
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-en-2-ol?
The IUPAC name of 3-bromoprop-1-en-2-ol (CID 12610769) is 3-bromoprop-1-en-2-ol.
What is the SMILES notation for 3-bromoprop-1-en-2-ol?
The canonical SMILES for 3-bromoprop-1-en-2-ol is C=C(O)CBr.
What is the InChIKey of 3-bromoprop-1-en-2-ol?
The InChIKey is XIANZLYPUVDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO/c1-3(5)2-4/h5H,1-2H2.
What are the key properties of 3-bromoprop-1-en-2-ol?
3-bromoprop-1-en-2-ol has a molecular weight of 136.98 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoprop-1-en-2-ol is sourced from PubChem (CID 12610769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).