2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid

C9H8BrFO5 — CID 117475580

IUPAC2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(O)cc(Br)c(C(O)C(=O)O)c1F
InChIInChI=1S/C9H8BrFO5/c1-16-8-4(12)2-3(10)5(6(8)11)7(13)9(14)15/h2,7,12-13H,1H3,(H,14,15)
InChIKeyJDBONGWONCGSNA-UHFFFAOYSA-N
MW295.06 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid

2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117475580) has the molecular formula C9H8BrFO5 and a molecular weight of 295.06 g/mol. Its IUPAC name is 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117475580
Molecular FormulaC9H8BrFO5
Molecular Weight295.06 g/mol
Exact Mass293.95
IUPAC Name2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(O)cc(Br)c(C(O)C(=O)O)c1F
InChIInChI=1S/C9H8BrFO5/c1-16-8-4(12)2-3(10)5(6(8)11)7(13)9(14)15/h2,7,12-13H,1H3,(H,14,15)
InChIKeyJDBONGWONCGSNA-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-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117475581
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117470010
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid (CID 117475580) is 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid is COc1c(O)cc(Br)c(C(O)C(=O)O)c1F.
What is the InChIKey of 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is JDBONGWONCGSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO5/c1-16-8-4(12)2-3(10)5(6(8)11)7(13)9(14)15/h2,7,12-13H,1H3,(H,14,15).
What are the key properties of 2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid?
2-(6-bromo-2-fluoro-4-hydroxy-3-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-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117475580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).