[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate

C24H20O4 — CID 2569453

IUPAC[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H20O4/c1-16-8-13-21(17(2)14-16)22(25)15-28-24(27)20-11-9-19(10-12-20)23(26)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyCWFPWVVEHGPRPX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.57
Rot. Bonds6

About [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate

[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 2569453) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID2569453
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H20O4/c1-16-8-13-21(17(2)14-16)22(25)15-28-24(27)20-11-9-19(10-12-20)23(26)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyCWFPWVVEHGPRPX-UHFFFAOYSA-N
XLogP4.57
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate 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-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 7854764
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828114
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203764
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate
CID 7361825
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate (CID 2569453) is [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate is Cc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is CWFPWVVEHGPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-16-8-13-21(17(2)14-16)22(25)15-28-24(27)20-11-9-19(10-12-20)23(26)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3.
What are the key properties of [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate?
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 372.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 2569453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).