bromo(methoxy)methanol

C2H5BrO2 — CID 54225350

IUPACbromo(methoxy)methanol
SMILESCOC(O)Br
InChIInChI=1S/C2H5BrO2/c1-5-2(3)4/h2,4H,1H3
InChIKeyQFLPEGCEUNTPRE-UHFFFAOYSA-N
MW140.96 g/mol
LogP0.30
Rot. Bonds1

About bromo(methoxy)methanol

bromo(methoxy)methanol (PubChem CID 54225350) has the molecular formula C2H5BrO2 and a molecular weight of 140.96 g/mol. Its IUPAC name is bromo(methoxy)methanol.

Molecular Properties

Compound Namebromo(methoxy)methanol
PubChem CID54225350
Molecular FormulaC2H5BrO2
Molecular Weight140.96 g/mol
Exact Mass139.95
IUPAC Namebromo(methoxy)methanol
SMILESCOC(O)Br
InChIInChI=1S/C2H5BrO2/c1-5-2(3)4/h2,4H,1H3
InChIKeyQFLPEGCEUNTPRE-UHFFFAOYSA-N
XLogP0.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.96
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo(methoxy)methanol?
The IUPAC name of bromo(methoxy)methanol (CID 54225350) is bromo(methoxy)methanol.
What is the SMILES notation for bromo(methoxy)methanol?
The canonical SMILES for bromo(methoxy)methanol is COC(O)Br.
What is the InChIKey of bromo(methoxy)methanol?
The InChIKey is QFLPEGCEUNTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO2/c1-5-2(3)4/h2,4H,1H3.
What are the key properties of bromo(methoxy)methanol?
bromo(methoxy)methanol has a molecular weight of 140.96 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(methoxy)methanol is sourced from PubChem (CID 54225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).