2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid

C8H5BrO4 — CID 117363947

IUPAC2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)cc1Br
InChIInChI=1S/C8H5BrO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKeyRABGSRNJOCORHB-UHFFFAOYSA-N
MW245.03 g/mol
LogP1.42
Rot. Bonds2

About 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid

2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid (PubChem CID 117363947) has the molecular formula C8H5BrO4 and a molecular weight of 245.03 g/mol. Its IUPAC name is 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid
PubChem CID117363947
Molecular FormulaC8H5BrO4
Molecular Weight245.03 g/mol
Exact Mass243.94
IUPAC Name2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)cc1Br
InChIInChI=1S/C8H5BrO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKeyRABGSRNJOCORHB-UHFFFAOYSA-N
XLogP1.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-hydroxybenzamide
CID 103693582
2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
CID 83391232
2-(4-bromo-2,3-dihydroxyphenyl)-2-oxoacetic acid
CID 117406297
2-(4-bromo-2-hydroxyphenyl)-2-oxoacetic acid
CID 47002632
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2,4-dibromobenzoic acid
CID 11896
2-(2-oxalophenyl)-2-oxoacetic acid
CID 22610354
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2-oxo-2-(2,4,5-trihydroxyphenyl)acetic acid
CID 101304441

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid (CID 117363947) is 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccc(O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid?
The InChIKey is RABGSRNJOCORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13).
What are the key properties of 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid?
2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid has a molecular weight of 245.03 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117363947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).