2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid

C8H6BrFO3 — CID 83900309

IUPAC2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)c(Br)c1O
InChIInChI=1S/C8H6BrFO3/c9-7-5(10)2-1-4(8(7)13)3-6(11)12/h1-2,13H,3H2,(H,11,12)
InChIKeyOGLNOZLXXYQAKV-UHFFFAOYSA-N
MW249.03 g/mol
LogP1.92
Rot. Bonds2

About 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid

2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 83900309) has the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID83900309
Molecular FormulaC8H6BrFO3
Molecular Weight249.03 g/mol
Exact Mass247.95
IUPAC Name2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)c(Br)c1O
InChIInChI=1S/C8H6BrFO3/c9-7-5(10)2-1-4(8(7)13)3-6(11)12/h1-2,13H,3H2,(H,11,12)
InChIKeyOGLNOZLXXYQAKV-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

Analyze 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
2-(2-bromo-3,4-dihydroxyphenyl)acetic acid
CID 54776284
2-[2-bromo-3-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 171000209
2-(2-bromo-6-cyano-3-fluorophenyl)acetic acid
CID 118998908
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(3-bromo-2-fluoro-4-iodophenyl)acetic acid
CID 171001427
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid (CID 83900309) is 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid is O=C(O)Cc1ccc(F)c(Br)c1O.
What is the InChIKey of 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is OGLNOZLXXYQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c9-7-5(10)2-1-4(8(7)13)3-6(11)12/h1-2,13H,3H2,(H,11,12).
What are the key properties of 2-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid?
2-(3-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-(3-bromo-4-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 83900309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).