3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid

C10H10BrFO3 — CID 84714596

IUPAC3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(Br)cc(F)cc1CCC(=O)O
InChIInChI=1S/C10H10BrFO3/c1-15-10-6(2-3-9(13)14)4-7(12)5-8(10)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJVMSROGNPYBNAB-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid

3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid (PubChem CID 84714596) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid
PubChem CID84714596
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(Br)cc(F)cc1CCC(=O)O
InChIInChI=1S/C10H10BrFO3/c1-15-10-6(2-3-9(13)14)4-7(12)5-8(10)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJVMSROGNPYBNAB-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic 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-(5-bromo-2,4-difluoro-3-methoxyphenyl)propanoic acid
CID 117475612
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
3-(3-bromo-5-fluoro-2-methoxyphenyl)propanenitrile
CID 84805686
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028
tert-butyl 2-(3-bromo-5-fluoro-2-methoxyphenyl)acetate
CID 155390184
3-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117492104
4-(2-bromo-5-fluoro-3-methoxyphenyl)butanoic acid
CID 117470028
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
3-(5-chloro-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117379989
3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117349160

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid (CID 84714596) is 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid is COc1c(Br)cc(F)cc1CCC(=O)O.
What is the InChIKey of 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is JVMSROGNPYBNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-15-10-6(2-3-9(13)14)4-7(12)5-8(10)11/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid?
3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84714596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).