2-(bromomethyl)prop-2-en-1-ol

C4H7BrO — CID 75481314

IUPAC2-(bromomethyl)prop-2-en-1-ol
SMILESC=C(CO)CBr
InChIInChI=1S/C4H7BrO/c1-4(2-5)3-6/h6H,1-3H2
InChIKeyZGBZQPLMILYHFP-UHFFFAOYSA-N
MW151.00 g/mol
LogP0.93
Rot. Bonds2

About 2-(bromomethyl)prop-2-en-1-ol

2-(bromomethyl)prop-2-en-1-ol (PubChem CID 75481314) has the molecular formula C4H7BrO and a molecular weight of 151.00 g/mol. Its IUPAC name is 2-(bromomethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(bromomethyl)prop-2-en-1-ol
PubChem CID75481314
Molecular FormulaC4H7BrO
Molecular Weight151.00 g/mol
Exact Mass149.97
IUPAC Name2-(bromomethyl)prop-2-en-1-ol
SMILESC=C(CO)CBr
InChIInChI=1S/C4H7BrO/c1-4(2-5)3-6/h6H,1-3H2
InChIKeyZGBZQPLMILYHFP-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)prop-2-en-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 2-(bromomethyl)prop-2-en-1-ol?
The IUPAC name of 2-(bromomethyl)prop-2-en-1-ol (CID 75481314) is 2-(bromomethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(bromomethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(bromomethyl)prop-2-en-1-ol is C=C(CO)CBr.
What is the InChIKey of 2-(bromomethyl)prop-2-en-1-ol?
The InChIKey is ZGBZQPLMILYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO/c1-4(2-5)3-6/h6H,1-3H2.
What are the key properties of 2-(bromomethyl)prop-2-en-1-ol?
2-(bromomethyl)prop-2-en-1-ol has a molecular weight of 151.00 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)prop-2-en-1-ol is sourced from PubChem (CID 75481314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).