2-(2-bromoethoxy)propane

C5H11BrO — CID 3830823

IUPAC2-(2-bromoethoxy)propane
SMILESCC(C)OCCBr
InChIInChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKeyKYKUZTBLYLKPIT-UHFFFAOYSA-N
MW167.05 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-bromoethoxy)propane

2-(2-bromoethoxy)propane (PubChem CID 3830823) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is 2-(2-bromoethoxy)propane.

Molecular Properties

Compound Name2-(2-bromoethoxy)propane
PubChem CID3830823
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name2-(2-bromoethoxy)propane
SMILESCC(C)OCCBr
InChIInChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKeyKYKUZTBLYLKPIT-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bromoethoxy)propane 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-(2-bromoethoxy)propane?
The IUPAC name of 2-(2-bromoethoxy)propane (CID 3830823) is 2-(2-bromoethoxy)propane.
What is the SMILES notation for 2-(2-bromoethoxy)propane?
The canonical SMILES for 2-(2-bromoethoxy)propane is CC(C)OCCBr.
What is the InChIKey of 2-(2-bromoethoxy)propane?
The InChIKey is KYKUZTBLYLKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-bromoethoxy)propane?
2-(2-bromoethoxy)propane has a molecular weight of 167.05 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)propane is sourced from PubChem (CID 3830823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).