2-bromo-2-methoxyethanol

C3H7BrO2 — CID 23558670

IUPAC2-bromo-2-methoxyethanol
SMILESCOC(Br)CO
InChIInChI=1S/C3H7BrO2/c1-6-3(4)2-5/h3,5H,2H2,1H3
InChIKeyGATFIAQRSGLJHR-UHFFFAOYSA-N
MW154.99 g/mol
LogP0.35
Rot. Bonds2

About 2-bromo-2-methoxyethanol

2-bromo-2-methoxyethanol (PubChem CID 23558670) has the molecular formula C3H7BrO2 and a molecular weight of 154.99 g/mol. Its IUPAC name is 2-bromo-2-methoxyethanol.

Molecular Properties

Compound Name2-bromo-2-methoxyethanol
PubChem CID23558670
Molecular FormulaC3H7BrO2
Molecular Weight154.99 g/mol
Exact Mass153.96
IUPAC Name2-bromo-2-methoxyethanol
SMILESCOC(Br)CO
InChIInChI=1S/C3H7BrO2/c1-6-3(4)2-5/h3,5H,2H2,1H3
InChIKeyGATFIAQRSGLJHR-UHFFFAOYSA-N
XLogP0.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.99
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methoxyethanol?
The IUPAC name of 2-bromo-2-methoxyethanol (CID 23558670) is 2-bromo-2-methoxyethanol.
What is the SMILES notation for 2-bromo-2-methoxyethanol?
The canonical SMILES for 2-bromo-2-methoxyethanol is COC(Br)CO.
What is the InChIKey of 2-bromo-2-methoxyethanol?
The InChIKey is GATFIAQRSGLJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO2/c1-6-3(4)2-5/h3,5H,2H2,1H3.
What are the key properties of 2-bromo-2-methoxyethanol?
2-bromo-2-methoxyethanol has a molecular weight of 154.99 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methoxyethanol is sourced from PubChem (CID 23558670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).