2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid

C9H8BrFO4 — CID 84811488

IUPAC2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C9H8BrFO4/c1-3(9(14)15)4-2-5(11)8(13)6(10)7(4)12/h2-3,12-13H,1H3,(H,14,15)
InChIKeyRAMVLQOJDAKVPZ-UHFFFAOYSA-N
MW279.06 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid

2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid (PubChem CID 84811488) has the molecular formula C9H8BrFO4 and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
PubChem CID84811488
Molecular FormulaC9H8BrFO4
Molecular Weight279.06 g/mol
Exact Mass277.96
IUPAC Name2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(F)c(O)c(Br)c1O
InChIInChI=1S/C9H8BrFO4/c1-3(9(14)15)4-2-5(11)8(13)6(10)7(4)12/h2-3,12-13H,1H3,(H,14,15)
InChIKeyRAMVLQOJDAKVPZ-UHFFFAOYSA-N
XLogP2.19
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanoic acid
CID 117466832
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid (CID 84811488) is 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid is CC(C(=O)O)c1cc(F)c(O)c(Br)c1O.
What is the InChIKey of 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
The InChIKey is RAMVLQOJDAKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO4/c1-3(9(14)15)4-2-5(11)8(13)6(10)7(4)12/h2-3,12-13H,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid?
2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid has a molecular weight of 279.06 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid is sourced from PubChem (CID 84811488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).