2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone

C8H6BrFO2 — CID 126970439

IUPAC2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(O)c1
InChIInChI=1S/C8H6BrFO2/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,11H,4H2
InChIKeyXKYNUWXCDDWJFK-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.11
Rot. Bonds2

About 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone

2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone (PubChem CID 126970439) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
PubChem CID126970439
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1ccc(F)c(O)c1
InChIInChI=1S/C8H6BrFO2/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,11H,4H2
InChIKeyXKYNUWXCDDWJFK-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
5-(2-bromoacetyl)-2-fluorobenzenesulfonamide
CID 11808590
2-bromo-1-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone
CID 98041667
2-bromo-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998241
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
1-(4-acetyl-3-fluorophenyl)-2-bromoethanone
CID 19853167
methyl 4-(4-fluoro-3-hydroxyphenyl)-2,4-dioxobutanoate
CID 121320590
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
2-bromo-1-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]ethanone
CID 170992234
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
2-bromo-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanone
CID 82489135

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone (CID 126970439) is 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone is O=C(CBr)c1ccc(F)c(O)c1.
What is the InChIKey of 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone?
The InChIKey is XKYNUWXCDDWJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,11H,4H2.
What are the key properties of 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone?
2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone has a molecular weight of 233.04 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 126970439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).