2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid

C10H10BrFO3 — CID 84811137

IUPAC2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(O)c(Br)c(F)c1
InChIInChI=1S/C10H10BrFO3/c1-2-6(10(14)15)5-3-7(12)9(11)8(13)4-5/h3-4,6,13H,2H2,1H3,(H,14,15)
InChIKeyVZEJJKUALKKMIT-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid

2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid (PubChem CID 84811137) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid
PubChem CID84811137
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(O)c(Br)c(F)c1
InChIInChI=1S/C10H10BrFO3/c1-2-6(10(14)15)5-3-7(12)9(11)8(13)4-5/h3-4,6,13H,2H2,1H3,(H,14,15)
InChIKeyVZEJJKUALKKMIT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylphenyl)butanoic acid
CID 84809315
2-(4-amino-3-fluorophenyl)butanoic acid
CID 67087857
2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
2-(4-bromo-2,5-difluorophenyl)butanoic acid
CID 84811511
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-[3,5-bis(trifluoromethyl)phenyl]butanoic acid
CID 23225987
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712
2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
CID 84809964
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid?
The IUPAC name of 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid (CID 84811137) is 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid is CCC(C(=O)O)c1cc(O)c(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid?
The InChIKey is VZEJJKUALKKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-2-6(10(14)15)5-3-7(12)9(11)8(13)4-5/h3-4,6,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid?
2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoro-5-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 84811137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).