1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone

C8H6BrFO2 — CID 53402856

IUPAC1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(Br)cc1O
InChIInChI=1S/C8H6BrFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3
InChIKeyGHCKGFMOZIFIDT-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone

1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 53402856) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID53402856
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(Br)cc1O
InChIInChI=1S/C8H6BrFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3
InChIKeyGHCKGFMOZIFIDT-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
4-bromo-2-ethanehydrazonoyl-5-fluorophenol
CID 137270968
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
1-(2-amino-5-fluoro-4-hydroxyphenyl)ethanone
CID 131333607

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone (CID 53402856) is 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone is CC(=O)c1cc(F)c(Br)cc1O.
What is the InChIKey of 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is GHCKGFMOZIFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3.
What are the key properties of 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone?
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 233.04 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 53402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).