(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate

C15H10Cl2O3 — CID 175409197

IUPAC(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
SMILESO=C(Oc1ccccc1Cl)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H10Cl2O3/c16-11-8-4-5-9-12(11)20-15(19)13(17)14(18)10-6-2-1-3-7-10/h1-9,13H
InChIKeyURILUZUBFORRQY-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.74
Rot. Bonds4

About (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate

(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate (PubChem CID 175409197) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
PubChem CID175409197
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
SMILESO=C(Oc1ccccc1Cl)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C15H10Cl2O3/c16-11-8-4-5-9-12(11)20-15(19)13(17)14(18)10-6-2-1-3-7-10/h1-9,13H
InChIKeyURILUZUBFORRQY-UHFFFAOYSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate 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-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
(2S)-2-chloro-N-(2-chlorophenyl)-3-oxo-3-phenylpropanamide
CID 836187
butyl 2-chloro-3-oxo-3-phenylpropanoate
CID 141499947
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
5-(2-chlorophenoxy)-5-oxopentanoic acid
CID 57264991
(2-chlorophenyl) prop-2-ynoate
CID 130728916
ethyl 3-chloro-2,4-dioxo-4-phenylbutanoate
CID 12506773
(2-chlorophenyl) 2-methoxyacetate
CID 542147

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate?
The IUPAC name of (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate (CID 175409197) is (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate.
What is the SMILES notation for (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate?
The canonical SMILES for (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate is O=C(Oc1ccccc1Cl)C(Cl)C(=O)c1ccccc1.
What is the InChIKey of (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate?
The InChIKey is URILUZUBFORRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c16-11-8-4-5-9-12(11)20-15(19)13(17)14(18)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate?
(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate has a molecular weight of 309.15 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 175409197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).