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

C10H10BrFO3 — CID 83904461

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

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

3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 83904461) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID83904461
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(Cc1c(O)ccc(F)c1Br)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-5(10(14)15)4-6-8(13)3-2-7(12)9(6)11/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyYFJNJOCWWJCQRH-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-3-fluoro-6-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid (CID 83904461) is 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid is CC(Cc1c(O)ccc(F)c1Br)C(=O)O.
What is the InChIKey of 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is YFJNJOCWWJCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(10(14)15)4-6-8(13)3-2-7(12)9(6)11/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 3-(2-bromo-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid?
3-(2-bromo-3-fluoro-6-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-3-fluoro-6-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83904461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).