bromomethanol

CH3BrO — CID 11708052

IUPACbromomethanol
SMILESOCBr
InChIInChI=1S/CH3BrO/c2-1-3/h3H,1H2
InChIKeyOEDMOCYNWLHUDP-UHFFFAOYSA-N
MW110.94 g/mol
LogP0.33
Rot. Bonds

About bromomethanol

bromomethanol (PubChem CID 11708052) has the molecular formula CH3BrO and a molecular weight of 110.94 g/mol. Its IUPAC name is bromomethanol.

Molecular Properties

Compound Namebromomethanol
PubChem CID11708052
Molecular FormulaCH3BrO
Molecular Weight110.94 g/mol
Exact Mass109.94
IUPAC Namebromomethanol
SMILESOCBr
InChIInChI=1S/CH3BrO/c2-1-3/h3H,1H2
InChIKeyOEDMOCYNWLHUDP-UHFFFAOYSA-N
XLogP0.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.94
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropan-1-ol
CID 159919052
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
3-bromo-2,2-bis(bromomethyl)propan-1-ol
CID 15206
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 157283280
bromosilver;ethane-1,2-diol
CID 174900529
16-bromohexadecan-1-ol
CID 2757013
2,3,4-tribromobut-2-en-1-ol
CID 54535645
methanediol;tungsten
CID 58612637
1,2-dibromoethane
CID 7839
potassium methanediol
CID 22156370
3-bromo-2,2-difluoropropan-1-ol
CID 112756501
4-bromo-2-(2-bromoethyl)butan-1-ol
CID 144850163

Frequently Asked Questions

What is the IUPAC name of bromomethanol?
The IUPAC name of bromomethanol (CID 11708052) is bromomethanol.
What is the SMILES notation for bromomethanol?
The canonical SMILES for bromomethanol is OCBr.
What is the InChIKey of bromomethanol?
The InChIKey is OEDMOCYNWLHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BrO/c2-1-3/h3H,1H2.
What are the key properties of bromomethanol?
bromomethanol has a molecular weight of 110.94 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethanol is sourced from PubChem (CID 11708052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).