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

C10H12BrFO2 — CID 155744413

IUPAC1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
SMILESCC.CC(=O)c1cc(Br)c(F)cc1O
InChIInChI=1S/C8H6BrFO2.C2H6/c1-4(11)5-2-6(9)7(10)3-8(5)12;1-2/h2-3,12H,1H3;1-2H3
InChIKeyFZUSCBRQVUQKMB-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.52
Rot. Bonds1

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

1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane (PubChem CID 155744413) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
PubChem CID155744413
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
SMILESCC.CC(=O)c1cc(Br)c(F)cc1O
InChIInChI=1S/C8H6BrFO2.C2H6/c1-4(11)5-2-6(9)7(10)3-8(5)12;1-2/h2-3,12H,1H3;1-2H3
InChIKeyFZUSCBRQVUQKMB-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
4-bromo-2-ethanehydrazonoyl-5-fluorophenol
CID 137270968
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439
1-(5-bromo-2,3-difluoro-4-hydroxyphenyl)ethanone
CID 117380244
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The IUPAC name of 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane (CID 155744413) is 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane is CC.CC(=O)c1cc(Br)c(F)cc1O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
The InChIKey is FZUSCBRQVUQKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2.C2H6/c1-4(11)5-2-6(9)7(10)3-8(5)12;1-2/h2-3,12H,1H3;1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane?
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane has a molecular weight of 263.11 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane is sourced from PubChem (CID 155744413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).