2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid

C9H8BrFO4 — CID 117447192

IUPAC2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(F)c(O)c1Br
InChIInChI=1S/C9H8BrFO4/c1-3-2-4(7(12)9(14)15)6(11)8(13)5(3)10/h2,7,12-13H,1H3,(H,14,15)
InChIKeyGDSQPBWCQKCVDV-UHFFFAOYSA-N
MW279.06 g/mol
LogP1.72
Rot. Bonds2

About 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid

2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117447192) has the molecular formula C9H8BrFO4 and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
PubChem CID117447192
Molecular FormulaC9H8BrFO4
Molecular Weight279.06 g/mol
Exact Mass277.96
IUPAC Name2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(F)c(O)c1Br
InChIInChI=1S/C9H8BrFO4/c1-3-2-4(7(12)9(14)15)6(11)8(13)5(3)10/h2,7,12-13H,1H3,(H,14,15)
InChIKeyGDSQPBWCQKCVDV-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid (CID 117447192) is 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid is Cc1cc(C(O)C(=O)O)c(F)c(O)c1Br.
What is the InChIKey of 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is GDSQPBWCQKCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO4/c1-3-2-4(7(12)9(14)15)6(11)8(13)5(3)10/h2,7,12-13H,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid?
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 279.06 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117447192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).