2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid

C11H10Cl2O4 — CID 134656015

IUPAC2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)C(Cl)c1ccc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C11H10Cl2O4/c1-5(14)9(13)7-3-2-6(12)4-8(7)10(15)11(16)17/h2-4,9-10,15H,1H3,(H,16,17)
InChIKeyBLUFSUVWMMNJMS-UHFFFAOYSA-N
MW277.10 g/mol
LogP2.33
Rot. Bonds4

About 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid

2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134656015) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
PubChem CID134656015
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)C(Cl)c1ccc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C11H10Cl2O4/c1-5(14)9(13)7-3-2-6(12)4-8(7)10(15)11(16)17/h2-4,9-10,15H,1H3,(H,16,17)
InChIKeyBLUFSUVWMMNJMS-UHFFFAOYSA-N
XLogP2.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-chloro-2-oxopropyl)-5-formylphenyl]-2-hydroxyacetic acid
CID 134657203
2-[2-(1-chloro-2-oxopropyl)-4-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657321
2-[4-bromo-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656245
2-[2-(1-chloro-2-oxopropyl)-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170837544
2-[2-(1-chloro-2-oxopropyl)-5-(cyanomethyl)phenyl]-2-hydroxyacetic acid
CID 170837514
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-[5-(1-chloro-2-oxopropyl)-2-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656720
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
2-[3-(1-chloro-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135740852
2-[4-(1-chloro-2-oxopropyl)-2-sulfanylphenyl]-2-hydroxyacetic acid
CID 134657586
2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
2-[4-(1-chloro-2-oxopropyl)-3-ethoxyphenyl]-2-hydroxyacetic acid
CID 134656929

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid (CID 134656015) is 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid is CC(=O)C(Cl)c1ccc(Cl)cc1C(O)C(=O)O.
What is the InChIKey of 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is BLUFSUVWMMNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c1-5(14)9(13)7-3-2-6(12)4-8(7)10(15)11(16)17/h2-4,9-10,15H,1H3,(H,16,17).
What are the key properties of 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid?
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 277.10 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134656015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).