2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid

C8H6BrFO3 — CID 83900317

IUPAC2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)cc1O
InChIInChI=1S/C8H6BrFO3/c9-5-1-4(2-8(12)13)7(11)3-6(5)10/h1,3,11H,2H2,(H,12,13)
InChIKeyJHHMCNVKKXJZKL-UHFFFAOYSA-N
MW249.03 g/mol
LogP1.92
Rot. Bonds2

About 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid

2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 83900317) has the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID83900317
Molecular FormulaC8H6BrFO3
Molecular Weight249.03 g/mol
Exact Mass247.95
IUPAC Name2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)cc1O
InChIInChI=1S/C8H6BrFO3/c9-5-1-4(2-8(12)13)7(11)3-6(5)10/h1,3,11H,2H2,(H,12,13)
InChIKeyJHHMCNVKKXJZKL-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
CID 84807500
2-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)acetic acid
CID 117416359
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid (CID 83900317) is 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid is O=C(O)Cc1cc(Br)c(F)cc1O.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is JHHMCNVKKXJZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c9-5-1-4(2-8(12)13)7(11)3-6(5)10/h1,3,11H,2H2,(H,12,13).
What are the key properties of 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 249.03 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 83900317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).