bromo(methoxy)methane;methanol

C3H9BrO2 — CID 175191460

IUPACbromo(methoxy)methane;methanol
SMILESCO.COCBr
InChIInChI=1S/C2H5BrO.CH4O/c1-4-2-3;1-2/h2H2,1H3;2H,1H3
InChIKeyQGYSBXQXKCGZEK-UHFFFAOYSA-N
MW157.01 g/mol
LogP0.59
Rot. Bonds1

About bromo(methoxy)methane;methanol

bromo(methoxy)methane;methanol (PubChem CID 175191460) has the molecular formula C3H9BrO2 and a molecular weight of 157.01 g/mol. Its IUPAC name is bromo(methoxy)methane;methanol.

Molecular Properties

Compound Namebromo(methoxy)methane;methanol
PubChem CID175191460
Molecular FormulaC3H9BrO2
Molecular Weight157.01 g/mol
Exact Mass155.98
IUPAC Namebromo(methoxy)methane;methanol
SMILESCO.COCBr
InChIInChI=1S/C2H5BrO.CH4O/c1-4-2-3;1-2/h2H2,1H3;2H,1H3
InChIKeyQGYSBXQXKCGZEK-UHFFFAOYSA-N
XLogP0.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.01
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromoethane;tris(cyclopentane);ethane;methane;methanol;methoxyethane
CID 161103226
ethane;methane;methanol;methoxymethane
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methanol;methoxyethane;nickel(2+);dibromide
CID 173085922
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
CID 171854698
1,2-dimethoxyethane;ethane
CID 91349162
bromoethane;methoxymethane
CID 163622396
1-bromo-2-methoxyethane;phosphane
CID 87651016
ethane;2-methoxyethanol
CID 175109361
2-(bromomethyl)-3-methoxyprop-1-ene
CID 58060002
ethane;methanol;propane
CID 91023482
methyl 2-bromoacetate
CID 10487067
ethane;methoxymethane
CID 91263182

Frequently Asked Questions

What is the IUPAC name of bromo(methoxy)methane;methanol?
The IUPAC name of bromo(methoxy)methane;methanol (CID 175191460) is bromo(methoxy)methane;methanol.
What is the SMILES notation for bromo(methoxy)methane;methanol?
The canonical SMILES for bromo(methoxy)methane;methanol is CO.COCBr.
What is the InChIKey of bromo(methoxy)methane;methanol?
The InChIKey is QGYSBXQXKCGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO.CH4O/c1-4-2-3;1-2/h2H2,1H3;2H,1H3.
What are the key properties of bromo(methoxy)methane;methanol?
bromo(methoxy)methane;methanol has a molecular weight of 157.01 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(methoxy)methane;methanol is sourced from PubChem (CID 175191460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).