2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid

C11H11ClO4 — CID 166641994

IUPAC2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCl)Cc1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C11H11ClO4/c12-6-9(13)5-7-2-1-3-8(4-7)10(14)11(15)16/h1-4,10,14H,5-6H2,(H,15,16)
InChIKeyYCXBQZOUMSBZLK-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.15
Rot. Bonds5

About 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid

2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid (PubChem CID 166641994) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
PubChem CID166641994
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCl)Cc1cccc(C(O)C(=O)O)c1
InChIInChI=1S/C11H11ClO4/c12-6-9(13)5-7-2-1-3-8(4-7)10(14)11(15)16/h1-4,10,14H,5-6H2,(H,15,16)
InChIKeyYCXBQZOUMSBZLK-UHFFFAOYSA-N
XLogP1.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(3-chloro-2-oxopropyl)phenyl]-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-[3-(3-chloro-2-oxopropyl)-5-cyanophenyl]-2-hydroxyacetic acid
CID 134656617
2-[2-bromo-5-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656178
2-[4-(bromomethyl)-3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656277
2-[4-(3-chloro-2-oxopropyl)-3-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118812674
2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
CID 117108511
2-[2-(chloromethyl)-6-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656433
3-[3-(carboxymethyl)phenyl]-2,3-dihydroxypropanoic acid
CID 170824264
2-[3-(3-chloro-2-oxopropyl)-2-methylphenyl]-2-hydroxyacetic acid
CID 134657772
2-[3-(chloromethyl)-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740724
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
2-[3-[hydroxy(phenyl)methyl]phenyl]acetic acid
CID 150412934
2-[2-(3-chloro-2-oxopropyl)-3-ethylphenyl]-2-hydroxyacetic acid
CID 134657065

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid (CID 166641994) is 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid is O=C(CCl)Cc1cccc(C(O)C(=O)O)c1.
What is the InChIKey of 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is YCXBQZOUMSBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c12-6-9(13)5-7-2-1-3-8(4-7)10(14)11(15)16/h1-4,10,14H,5-6H2,(H,15,16).
What are the key properties of 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 242.66 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 166641994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).