3-(bromomethyl)furan

C5H5BrO — CID 11094934

IUPAC3-(bromomethyl)furan
SMILESBrCc1ccoc1
InChIInChI=1S/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyHOEQXFUBJFGJKA-UHFFFAOYSA-N
MW161.00 g/mol
LogP2.17
Rot. Bonds1

About 3-(bromomethyl)furan

3-(bromomethyl)furan (PubChem CID 11094934) has the molecular formula C5H5BrO and a molecular weight of 161.00 g/mol. Its IUPAC name is 3-(bromomethyl)furan.

Molecular Properties

Compound Name3-(bromomethyl)furan
PubChem CID11094934
Molecular FormulaC5H5BrO
Molecular Weight161.00 g/mol
Exact Mass159.95
IUPAC Name3-(bromomethyl)furan
SMILESBrCc1ccoc1
InChIInChI=1S/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKeyHOEQXFUBJFGJKA-UHFFFAOYSA-N
XLogP2.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)furan 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-(bromomethyl)furan?
The IUPAC name of 3-(bromomethyl)furan (CID 11094934) is 3-(bromomethyl)furan.
What is the SMILES notation for 3-(bromomethyl)furan?
The canonical SMILES for 3-(bromomethyl)furan is BrCc1ccoc1.
What is the InChIKey of 3-(bromomethyl)furan?
The InChIKey is HOEQXFUBJFGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2.
What are the key properties of 3-(bromomethyl)furan?
3-(bromomethyl)furan has a molecular weight of 161.00 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)furan is sourced from PubChem (CID 11094934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).