4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid

C14H9BrF2O3 — CID 169097100

IUPAC4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
SMILESCc1cc(F)ccc1Oc1cc(Br)cc(F)c1C(=O)O
InChIInChI=1S/C14H9BrF2O3/c1-7-4-9(16)2-3-11(7)20-12-6-8(15)5-10(17)13(12)14(18)19/h2-6H,1H3,(H,18,19)
InChIKeyCTZLUETZTUZNBD-UHFFFAOYSA-N
MW343.12 g/mol
LogP4.53
Rot. Bonds3

About 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid

4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid (PubChem CID 169097100) has the molecular formula C14H9BrF2O3 and a molecular weight of 343.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
PubChem CID169097100
Molecular FormulaC14H9BrF2O3
Molecular Weight343.12 g/mol
Exact Mass341.97
IUPAC Name4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid
SMILESCc1cc(F)ccc1Oc1cc(Br)cc(F)c1C(=O)O
InChIInChI=1S/C14H9BrF2O3/c1-7-4-9(16)2-3-11(7)20-12-6-8(15)5-10(17)13(12)14(18)19/h2-6H,1H3,(H,18,19)
InChIKeyCTZLUETZTUZNBD-UHFFFAOYSA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic 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

5-bromo-3-(4-fluoro-2-methylphenoxy)pyridine-2-carboxylic acid
CID 114203062
4-bromo-N-(3-cyano-4-fluorophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzamide
CID 169097118
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
3-(4-fluoro-2-methylphenoxy)-6-iodo-5-methylpyridazine-4-carboxylic acid
CID 167198341
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]ethanone
CID 155458337
methyl 4-bromo-2-fluoro-6-(2-iodophenoxy)benzoate
CID 166637684
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid?
The IUPAC name of 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid (CID 169097100) is 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid is Cc1cc(F)ccc1Oc1cc(Br)cc(F)c1C(=O)O.
What is the InChIKey of 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid?
The InChIKey is CTZLUETZTUZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O3/c1-7-4-9(16)2-3-11(7)20-12-6-8(15)5-10(17)13(12)14(18)19/h2-6H,1H3,(H,18,19).
What are the key properties of 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid?
4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid has a molecular weight of 343.12 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(4-fluoro-2-methylphenoxy)benzoic acid is sourced from PubChem (CID 169097100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).