1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane

C6H15Br4O3P — CID 162117508

IUPAC1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane
SMILESBrP(Br)Br.COCCBr.COCCO
InChIInChI=1S/C3H7BrO.C3H8O2.Br3P/c2*1-5-3-2-4;1-4(2)3/h2-3H2,1H3;4H,2-3H2,1H3;
InChIKeyZGYRBISZWOBYIU-UHFFFAOYSA-N
MW485.77 g/mol
LogP4.05
Rot. Bonds4

About 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane

1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane (PubChem CID 162117508) has the molecular formula C6H15Br4O3P and a molecular weight of 485.77 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane.

Molecular Properties

Compound Name1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane
PubChem CID162117508
Molecular FormulaC6H15Br4O3P
Molecular Weight485.77 g/mol
Exact Mass481.75
IUPAC Name1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane
SMILESBrP(Br)Br.COCCBr.COCCO
InChIInChI=1S/C3H7BrO.C3H8O2.Br3P/c2*1-5-3-2-4;1-4(2)3/h2-3H2,1H3;4H,2-3H2,1H3;
InChIKeyZGYRBISZWOBYIU-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane 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 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane?
The IUPAC name of 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane (CID 162117508) is 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane.
What is the SMILES notation for 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane?
The canonical SMILES for 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane is BrP(Br)Br.COCCBr.COCCO.
What is the InChIKey of 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane?
The InChIKey is ZGYRBISZWOBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO.C3H8O2.Br3P/c2*1-5-3-2-4;1-4(2)3/h2-3H2,1H3;4H,2-3H2,1H3;.
What are the key properties of 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane?
1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane has a molecular weight of 485.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxyethane;2-methoxyethanol;tribromophosphane is sourced from PubChem (CID 162117508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).