2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid

C11H11BrO4 — CID 135740676

IUPAC2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)Cc1ccc(Br)cc1C(O)C(=O)O
InChIInChI=1S/C11H11BrO4/c1-6(13)4-7-2-3-8(12)5-9(7)10(14)11(15)16/h2-3,5,10,14H,4H2,1H3,(H,15,16)
InChIKeyYFIRRLCPQSVSGA-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.70
Rot. Bonds4

About 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid

2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid (PubChem CID 135740676) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
PubChem CID135740676
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)Cc1ccc(Br)cc1C(O)C(=O)O
InChIInChI=1S/C11H11BrO4/c1-6(13)4-7-2-3-8(12)5-9(7)10(14)11(15)16/h2-3,5,10,14H,4H2,1H3,(H,15,16)
InChIKeyYFIRRLCPQSVSGA-UHFFFAOYSA-N
XLogP1.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(2-cyanoethyl)phenyl]-2-hydroxyacetic acid
CID 134656194
2-hydroxy-2-[5-nitro-2-(2-oxopropyl)phenyl]acetic acid
CID 134657937
2-[2-ethyl-5-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134655936
2-[4-bromo-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656245
2-[4-bromo-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656204
2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
CID 118850226
2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 131011158
2-[4-bromo-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118828004
2-[3-bromo-5-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656167
2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118995862
2-hydroxy-2-[3-(hydroxymethyl)-4-(2-oxopropyl)phenyl]acetic acid
CID 134657390
2-[2-(bromomethyl)-5-(1-bromo-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656336

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid (CID 135740676) is 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid is CC(=O)Cc1ccc(Br)cc1C(O)C(=O)O.
What is the InChIKey of 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is YFIRRLCPQSVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-6(13)4-7-2-3-8(12)5-9(7)10(14)11(15)16/h2-3,5,10,14H,4H2,1H3,(H,15,16).
What are the key properties of 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 135740676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).