1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one

C10H10BrFO2 — CID 90298147

IUPAC1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(O)cc(Br)cc1F
InChIInChI=1S/C10H10BrFO2/c1-2-3-8(13)10-7(12)4-6(11)5-9(10)14/h4-5,14H,2-3H2,1H3
InChIKeyHHSISJUMAIRGEZ-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one

1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one (PubChem CID 90298147) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
PubChem CID90298147
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1c(O)cc(Br)cc1F
InChIInChI=1S/C10H10BrFO2/c1-2-3-8(13)10-7(12)4-6(11)5-9(10)14/h4-5,14H,2-3H2,1H3
InChIKeyHHSISJUMAIRGEZ-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-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-one
CID 114976545
1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
CID 115782966
1-(2,4-dichloro-6-fluorophenyl)butan-1-one
CID 130067754
3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
1-(4-bromo-2-fluoro-6-methylphenyl)-2,2-diethoxyethanone
CID 177064336
1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
CID 62381220
1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
CID 62381217
1-(2,4,6-trifluorophenyl)hexan-1-one
CID 43160560
2-[2-(4-bromo-2,6-difluorophenyl)-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119582
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one?
The IUPAC name of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one (CID 90298147) is 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one?
The canonical SMILES for 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one is CCCC(=O)c1c(O)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one?
The InChIKey is HHSISJUMAIRGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-2-3-8(13)10-7(12)4-6(11)5-9(10)14/h4-5,14H,2-3H2,1H3.
What are the key properties of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one?
1-(4-bromo-2-fluoro-6-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-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 90298147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).