bromobenzene;prop-2-en-1-ol

C9H11BrO — CID 174582586

IUPACbromobenzene;prop-2-en-1-ol
SMILESBrc1ccccc1.C=CCO
InChIInChI=1S/C6H5Br.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1,3H2
InChIKeyKIODCFAHGIPYDZ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.61
Rot. Bonds1

About bromobenzene;prop-2-en-1-ol

bromobenzene;prop-2-en-1-ol (PubChem CID 174582586) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is bromobenzene;prop-2-en-1-ol.

Molecular Properties

Compound Namebromobenzene;prop-2-en-1-ol
PubChem CID174582586
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Namebromobenzene;prop-2-en-1-ol
SMILESBrc1ccccc1.C=CCO
InChIInChI=1S/C6H5Br.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1,3H2
InChIKeyKIODCFAHGIPYDZ-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bromobenzene;pent-4-en-2-ol
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bromo(113C)cyclohexatriene
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bromobenzene;prop-2-enal
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bromobenzene;formaldehyde
CID 175054829
bromobenzene;trihydrofluoride
CID 173004651
CID 159525408
CID 159525408
bromobenzene;hydroiodide
CID 161399395
bromobenzene;hydrofluoride
CID 158803829
cesium;bromobenzene;hydride
CID 174679233

Frequently Asked Questions

What is the IUPAC name of bromobenzene;prop-2-en-1-ol?
The IUPAC name of bromobenzene;prop-2-en-1-ol (CID 174582586) is bromobenzene;prop-2-en-1-ol.
What is the SMILES notation for bromobenzene;prop-2-en-1-ol?
The canonical SMILES for bromobenzene;prop-2-en-1-ol is Brc1ccccc1.C=CCO.
What is the InChIKey of bromobenzene;prop-2-en-1-ol?
The InChIKey is KIODCFAHGIPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C3H6O/c7-6-4-2-1-3-5-6;1-2-3-4/h1-5H;2,4H,1,3H2.
What are the key properties of bromobenzene;prop-2-en-1-ol?
bromobenzene;prop-2-en-1-ol has a molecular weight of 215.09 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;prop-2-en-1-ol is sourced from PubChem (CID 174582586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).