3-(4-bromofuran-3-yl)oxane

C9H11BrO2 — CID 82390776

IUPAC3-(4-bromofuran-3-yl)oxane
SMILESBrc1cocc1C1CCCOC1
InChIInChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7H,1-4H2
InChIKeyDBBPGQDPMILZEQ-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.94
Rot. Bonds1

About 3-(4-bromofuran-3-yl)oxane

3-(4-bromofuran-3-yl)oxane (PubChem CID 82390776) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-(4-bromofuran-3-yl)oxane.

Molecular Properties

Compound Name3-(4-bromofuran-3-yl)oxane
PubChem CID82390776
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name3-(4-bromofuran-3-yl)oxane
SMILESBrc1cocc1C1CCCOC1
InChIInChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7H,1-4H2
InChIKeyDBBPGQDPMILZEQ-UHFFFAOYSA-N
XLogP2.94
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromofuran-3-yl)oxane 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-(4-bromofuran-3-yl)oxane?
The IUPAC name of 3-(4-bromofuran-3-yl)oxane (CID 82390776) is 3-(4-bromofuran-3-yl)oxane.
What is the SMILES notation for 3-(4-bromofuran-3-yl)oxane?
The canonical SMILES for 3-(4-bromofuran-3-yl)oxane is Brc1cocc1C1CCCOC1.
What is the InChIKey of 3-(4-bromofuran-3-yl)oxane?
The InChIKey is DBBPGQDPMILZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7H,1-4H2.
What are the key properties of 3-(4-bromofuran-3-yl)oxane?
3-(4-bromofuran-3-yl)oxane has a molecular weight of 231.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromofuran-3-yl)oxane is sourced from PubChem (CID 82390776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).