3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid

C10H10BrFO3 — CID 84811125

IUPAC3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1c(F)ccc(O)c1Br)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-5(10(14)15)4-6-7(12)2-3-8(13)9(6)11/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyLYWXSHUCUACBBX-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid

3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 84811125) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID84811125
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1c(F)ccc(O)c1Br)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-5(10(14)15)4-6-7(12)2-3-8(13)9(6)11/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyLYWXSHUCUACBBX-UHFFFAOYSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic 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

3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-2-methylpropanoic acid
CID 117475607
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
CID 84792120
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
4-(3-bromo-2,6-difluorophenyl)-2-methylbutanoic acid
CID 106273954
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(2-bromo-4-chloro-3-fluorophenyl)-2-methylpropanoic acid
CID 117476290
3-(2,7-dihydroxynaphthalen-1-yl)-2-methylpropanoic acid
CID 117367475

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid (CID 84811125) is 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1c(F)ccc(O)c1Br)C(=O)O.
What is the InChIKey of 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is LYWXSHUCUACBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(10(14)15)4-6-7(12)2-3-8(13)9(6)11/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid?
3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84811125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).