[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate

C15H10Cl2O3 — CID 587174

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyHGSLURSUZKFJKZ-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.03
Rot. Bonds4

About [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate (PubChem CID 587174) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
PubChem CID587174
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
SMILESO=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyHGSLURSUZKFJKZ-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate 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

phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 2644708
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
CID 15702453
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23831669
[2-(4-chlorophenyl)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605444
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate (CID 587174) is [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate is O=C(COC(=O)c1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is HGSLURSUZKFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c16-11-7-5-10(6-8-11)14(18)9-20-15(19)12-3-1-2-4-13(12)17/h1-8H,9H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 309.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).