1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one

C9H8BrFO2 — CID 83900104

IUPAC1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)ccc(Br)c1F
InChIInChI=1S/C9H8BrFO2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3
InChIKeyUNKURXMFAAGUMW-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one

1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one (PubChem CID 83900104) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
PubChem CID83900104
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1c(O)ccc(Br)c1F
InChIInChI=1S/C9H8BrFO2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3
InChIKeyUNKURXMFAAGUMW-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-6-hydroxyphenyl)propan-2-one
CID 83876626
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117406412
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
1-(2-bromo-6-hydroxy-4-methylphenyl)propan-2-one
CID 84801898
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
1-(3-bromo-2,6-difluorophenyl)-3-(methylamino)propan-2-one
CID 106272492

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one (CID 83900104) is 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one is CC(=O)Cc1c(O)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one?
The InChIKey is UNKURXMFAAGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-5(12)4-6-8(13)3-2-7(10)9(6)11/h2-3,13H,4H2,1H3.
What are the key properties of 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one?
1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one has a molecular weight of 247.06 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 83900104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).