2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid

C11H10Cl2O5 — CID 70449151

IUPAC2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid
SMILESCCOC(=O)C(O)(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O5/c1-2-18-10(16)11(17,9(14)15)6-3-7(12)5-8(13)4-6/h3-5,17H,2H2,1H3,(H,14,15)
InChIKeyRSBWYCWDGWRSPN-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.83
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid

2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid (PubChem CID 70449151) has the molecular formula C11H10Cl2O5 and a molecular weight of 293.10 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid
PubChem CID70449151
Molecular FormulaC11H10Cl2O5
Molecular Weight293.10 g/mol
Exact Mass291.99
IUPAC Name2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid
SMILESCCOC(=O)C(O)(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O5/c1-2-18-10(16)11(17,9(14)15)6-3-7(12)5-8(13)4-6/h3-5,17H,2H2,1H3,(H,14,15)
InChIKeyRSBWYCWDGWRSPN-UHFFFAOYSA-N
XLogP1.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid (CID 70449151) is 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid is CCOC(=O)C(O)(C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid?
The InChIKey is RSBWYCWDGWRSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O5/c1-2-18-10(16)11(17,9(14)15)6-3-7(12)5-8(13)4-6/h3-5,17H,2H2,1H3,(H,14,15).
What are the key properties of 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid?
2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid has a molecular weight of 293.10 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3-ethoxy-2-hydroxy-3-oxopropanoic acid is sourced from PubChem (CID 70449151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).