1-bromoethanol

C2H5BrO — CID 14202443

IUPAC1-bromoethanol
SMILESCC(O)Br
InChIInChI=1S/C2H5BrO/c1-2(3)4/h2,4H,1H3
InChIKeyZLGXEEAGBLFFTB-UHFFFAOYSA-N
MW124.96 g/mol
LogP0.72
Rot. Bonds

About 1-bromoethanol

1-bromoethanol (PubChem CID 14202443) has the molecular formula C2H5BrO and a molecular weight of 124.96 g/mol. Its IUPAC name is 1-bromoethanol.

Molecular Properties

Compound Name1-bromoethanol
PubChem CID14202443
Molecular FormulaC2H5BrO
Molecular Weight124.96 g/mol
Exact Mass123.95
IUPAC Name1-bromoethanol
SMILESCC(O)Br
InChIInChI=1S/C2H5BrO/c1-2(3)4/h2,4H,1H3
InChIKeyZLGXEEAGBLFFTB-UHFFFAOYSA-N
XLogP0.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.96
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromoethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromoethanol
CID 10898
2-Bromopropan-1-ol
CID 11713
Ethanol, 2,2-dibromo-
CID 123582
2-Bromoethanol-1,1,2,2-d4
CID 12359290
(2S)-2-bromopropan-1-ol
CID 641238
(2R)-2-bromopropan-1-ol
CID 12579096
2-Bromo-2-fluoroethan-1-ol
CID 44558578
2-Bromoethanol-2-13C
CID 71308829
Bromopropanol
CID 12887879
2-Bromoethanol-13C2,1,1,2,2-d4
CID 124202661
1,2-Dibromoethanol
CID 53691297
2-Bromo(~13~C_2_)ethan-1-ol
CID 12359291

Frequently Asked Questions

What is the IUPAC name of 1-bromoethanol?
The IUPAC name of 1-bromoethanol (CID 14202443) is 1-bromoethanol.
What is the SMILES notation for 1-bromoethanol?
The canonical SMILES for 1-bromoethanol is CC(O)Br.
What is the InChIKey of 1-bromoethanol?
The InChIKey is ZLGXEEAGBLFFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BrO/c1-2(3)4/h2,4H,1H3.
What are the key properties of 1-bromoethanol?
1-bromoethanol has a molecular weight of 124.96 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethanol is sourced from PubChem (CID 14202443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).