2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid

C9H8BrFO5 — CID 117475581

IUPAC2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(Br)c(C(O)C(=O)O)c1O
InChIInChI=1S/C9H8BrFO5/c1-16-4-2-3(11)6(10)5(7(4)12)8(13)9(14)15/h2,8,12-13H,1H3,(H,14,15)
InChIKeyUQWIGABGSOKBLI-UHFFFAOYSA-N
MW295.06 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid

2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117475581) has the molecular formula C9H8BrFO5 and a molecular weight of 295.06 g/mol. Its IUPAC name is 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117475581
Molecular FormulaC9H8BrFO5
Molecular Weight295.06 g/mol
Exact Mass293.95
IUPAC Name2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(Br)c(C(O)C(=O)O)c1O
InChIInChI=1S/C9H8BrFO5/c1-16-4-2-3(11)6(10)5(7(4)12)8(13)9(14)15/h2,8,12-13H,1H3,(H,14,15)
InChIKeyUQWIGABGSOKBLI-UHFFFAOYSA-N
XLogP1.42
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
CID 171009531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid (CID 117475581) is 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid is COc1cc(F)c(Br)c(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is UQWIGABGSOKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO5/c1-16-4-2-3(11)6(10)5(7(4)12)8(13)9(14)15/h2,8,12-13H,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid?
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 295.06 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117475581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).