2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid

C11H11BrO4 — CID 118850226

IUPAC2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cc(Br)ccc1C(O)C(=O)O
InChIInChI=1S/C11H11BrO4/c1-2-9(13)8-5-6(12)3-4-7(8)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16)
InChIKeyGMUYVMUOCKMOBU-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid

2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid (PubChem CID 118850226) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
PubChem CID118850226
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid
SMILESCCC(=O)c1cc(Br)ccc1C(O)C(=O)O
InChIInChI=1S/C11H11BrO4/c1-2-9(13)8-5-6(12)3-4-7(8)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16)
InChIKeyGMUYVMUOCKMOBU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-3-propanoylphenyl)-2-hydroxyacetic acid
CID 119019109
2-hydroxy-2-(4-nitro-2-propanoylphenyl)acetic acid
CID 134657907
2-[5-(bromomethyl)-2-propanoylphenyl]-2-hydroxyacetic acid
CID 134656297
2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740676
2-[4-bromo-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656245
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
2-(2-bromo-6-propanoylphenyl)-2-hydroxyacetic acid
CID 135741057
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
2-[4-bromo-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118828004
5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
CID 132525503
2-[2-(3-bromopropanoyl)-4-methoxyphenyl]-2-hydroxyacetic acid
CID 118830781
2-[4-bromo-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656204

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid (CID 118850226) is 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid is CCC(=O)c1cc(Br)ccc1C(O)C(=O)O.
What is the InChIKey of 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid?
The InChIKey is GMUYVMUOCKMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-2-9(13)8-5-6(12)3-4-7(8)10(14)11(15)16/h3-5,10,14H,2H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid?
2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid has a molecular weight of 287.11 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propanoylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118850226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).