2-bromoethanol;2-methylprop-2-enoic acid

C6H11BrO3 — CID 163915230

IUPAC2-bromoethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OCCBr
InChIInChI=1S/C4H6O2.C2H5BrO/c1-3(2)4(5)6;3-1-2-4/h1H2,2H3,(H,5,6);4H,1-2H2
InChIKeyQVQROLNRYXWTQI-UHFFFAOYSA-N
MW211.05 g/mol
LogP1.02
Rot. Bonds2

About 2-bromoethanol;2-methylprop-2-enoic acid

2-bromoethanol;2-methylprop-2-enoic acid (PubChem CID 163915230) has the molecular formula C6H11BrO3 and a molecular weight of 211.05 g/mol. Its IUPAC name is 2-bromoethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-bromoethanol;2-methylprop-2-enoic acid
PubChem CID163915230
Molecular FormulaC6H11BrO3
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name2-bromoethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OCCBr
InChIInChI=1S/C4H6O2.C2H5BrO/c1-3(2)4(5)6;3-1-2-4/h1H2,2H3,(H,5,6);4H,1-2H2
InChIKeyQVQROLNRYXWTQI-UHFFFAOYSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
1-bromobutane;2-methylprop-2-enoic acid
CID 126608279
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
acetic acid;2-methylprop-2-enoic acid
CID 21426946
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;2-methylprop-2-enoic acid?
The IUPAC name of 2-bromoethanol;2-methylprop-2-enoic acid (CID 163915230) is 2-bromoethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-bromoethanol;2-methylprop-2-enoic acid?
The canonical SMILES for 2-bromoethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.OCCBr.
What is the InChIKey of 2-bromoethanol;2-methylprop-2-enoic acid?
The InChIKey is QVQROLNRYXWTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H5BrO/c1-3(2)4(5)6;3-1-2-4/h1H2,2H3,(H,5,6);4H,1-2H2.
What are the key properties of 2-bromoethanol;2-methylprop-2-enoic acid?
2-bromoethanol;2-methylprop-2-enoic acid has a molecular weight of 211.05 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 163915230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).