1-bromo-3-(2-methoxyethoxy)propane

C6H13BrO2 — CID 15636133

IUPAC1-bromo-3-(2-methoxyethoxy)propane
SMILESCOCCOCCCBr
InChIInChI=1S/C6H13BrO2/c1-8-5-6-9-4-2-3-7/h2-6H2,1H3
InChIKeyXXRSNYDVVFLAPC-UHFFFAOYSA-N
MW197.07 g/mol
LogP1.43
Rot. Bonds6

About 1-bromo-3-(2-methoxyethoxy)propane

1-bromo-3-(2-methoxyethoxy)propane (PubChem CID 15636133) has the molecular formula C6H13BrO2 and a molecular weight of 197.07 g/mol. Its IUPAC name is 1-bromo-3-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name1-bromo-3-(2-methoxyethoxy)propane
PubChem CID15636133
Molecular FormulaC6H13BrO2
Molecular Weight197.07 g/mol
Exact Mass196.01
IUPAC Name1-bromo-3-(2-methoxyethoxy)propane
SMILESCOCCOCCCBr
InChIInChI=1S/C6H13BrO2/c1-8-5-6-9-4-2-3-7/h2-6H2,1H3
InChIKeyXXRSNYDVVFLAPC-UHFFFAOYSA-N
XLogP1.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(2-methoxyethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-bromo-10-(2-methoxyethoxymethoxy)decane
CID 53253255
1,8-bis(2-methoxyethoxy)octane
CID 143118909
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 172826348
CID 172826348
CID 173303266
CID 173303266

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methoxyethoxy)propane?
The IUPAC name of 1-bromo-3-(2-methoxyethoxy)propane (CID 15636133) is 1-bromo-3-(2-methoxyethoxy)propane.
What is the SMILES notation for 1-bromo-3-(2-methoxyethoxy)propane?
The canonical SMILES for 1-bromo-3-(2-methoxyethoxy)propane is COCCOCCCBr.
What is the InChIKey of 1-bromo-3-(2-methoxyethoxy)propane?
The InChIKey is XXRSNYDVVFLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO2/c1-8-5-6-9-4-2-3-7/h2-6H2,1H3.
What are the key properties of 1-bromo-3-(2-methoxyethoxy)propane?
1-bromo-3-(2-methoxyethoxy)propane has a molecular weight of 197.07 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methoxyethoxy)propane is sourced from PubChem (CID 15636133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).