1-(2-bromoethoxy)propane

C5H11BrO — CID 2734184

IUPAC1-(2-bromoethoxy)propane
SMILESCCCOCCBr
InChIInChI=1S/C5H11BrO/c1-2-4-7-5-3-6/h2-5H2,1H3
InChIKeyBQYZDMNAARQHKR-UHFFFAOYSA-N
MW167.05 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-bromoethoxy)propane

1-(2-bromoethoxy)propane (PubChem CID 2734184) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is 1-(2-bromoethoxy)propane.

Molecular Properties

Compound Name1-(2-bromoethoxy)propane
PubChem CID2734184
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name1-(2-bromoethoxy)propane
SMILESCCCOCCBr
InChIInChI=1S/C5H11BrO/c1-2-4-7-5-3-6/h2-5H2,1H3
InChIKeyBQYZDMNAARQHKR-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)propane?
The IUPAC name of 1-(2-bromoethoxy)propane (CID 2734184) is 1-(2-bromoethoxy)propane.
What is the SMILES notation for 1-(2-bromoethoxy)propane?
The canonical SMILES for 1-(2-bromoethoxy)propane is CCCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)propane?
The InChIKey is BQYZDMNAARQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO/c1-2-4-7-5-3-6/h2-5H2,1H3.
What are the key properties of 1-(2-bromoethoxy)propane?
1-(2-bromoethoxy)propane has a molecular weight of 167.05 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)propane is sourced from PubChem (CID 2734184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).