2-(5-bromo-2-hydroxyphenyl)ethenone

C8H5BrO2 — CID 176516988

IUPAC2-(5-bromo-2-hydroxyphenyl)ethenone
SMILESO=C=Cc1cc(Br)ccc1O
InChIInChI=1S/C8H5BrO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-3,5,11H
InChIKeyFUCAIEYOPSFBII-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.00
Rot. Bonds1

About 2-(5-bromo-2-hydroxyphenyl)ethenone

2-(5-bromo-2-hydroxyphenyl)ethenone (PubChem CID 176516988) has the molecular formula C8H5BrO2 and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)ethenone.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)ethenone
PubChem CID176516988
Molecular FormulaC8H5BrO2
Molecular Weight213.03 g/mol
Exact Mass211.95
IUPAC Name2-(5-bromo-2-hydroxyphenyl)ethenone
SMILESO=C=Cc1cc(Br)ccc1O
InChIInChI=1S/C8H5BrO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-3,5,11H
InChIKeyFUCAIEYOPSFBII-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)ethenone?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)ethenone (CID 176516988) is 2-(5-bromo-2-hydroxyphenyl)ethenone.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)ethenone?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)ethenone is O=C=Cc1cc(Br)ccc1O.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)ethenone?
The InChIKey is FUCAIEYOPSFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-3,5,11H.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)ethenone?
2-(5-bromo-2-hydroxyphenyl)ethenone has a molecular weight of 213.03 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)ethenone is sourced from PubChem (CID 176516988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).