1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one

C10H10BrFO2 — CID 62381220

IUPAC1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C10H10BrFO2/c1-2-3-9(13)7-4-6(12)5-8(11)10(7)14/h4-5,14H,2-3H2,1H3
InChIKeyLKYFOTSWLAUQBO-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one

1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one (PubChem CID 62381220) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
PubChem CID62381220
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(F)cc(Br)c1O
InChIInChI=1S/C10H10BrFO2/c1-2-3-9(13)7-4-6(12)5-8(11)10(7)14/h4-5,14H,2-3H2,1H3
InChIKeyLKYFOTSWLAUQBO-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 62380678
1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
CID 62381217
3-amino-1-(3-bromo-2,5-difluorophenyl)propan-1-one
CID 117414290
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
CID 62381030
1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
CID 90298147
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
1-(2-bromo-5-phenylphenyl)butan-1-one
CID 83988643
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
(2-butanoyl-4,6-difluorophenyl) benzoate
CID 141250021

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one?
The IUPAC name of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one (CID 62381220) is 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one?
The canonical SMILES for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one is CCCC(=O)c1cc(F)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one?
The InChIKey is LKYFOTSWLAUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-2-3-9(13)7-4-6(12)5-8(11)10(7)14/h4-5,14H,2-3H2,1H3.
What are the key properties of 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one?
1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one has a molecular weight of 261.09 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 62381220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).