ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate

C24H20Cl2O3 — CID 142540959

IUPACethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)CC)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2O3/c1-3-23(27)20-14-19(17-11-10-16(25)12-22(17)26)21(24(28)29-4-2)13-18(20)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
InChIKeyXNBRMUQWBMLWBX-UHFFFAOYSA-N
MW427.33 g/mol
LogP7.10
Rot. Bonds6

About ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate

ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate (PubChem CID 142540959) has the molecular formula C24H20Cl2O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
PubChem CID142540959
Molecular FormulaC24H20Cl2O3
Molecular Weight427.33 g/mol
Exact Mass426.08
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)CC)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2O3/c1-3-23(27)20-14-19(17-11-10-16(25)12-22(17)26)21(24(28)29-4-2)13-18(20)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
InChIKeyXNBRMUQWBMLWBX-UHFFFAOYSA-N
XLogP7.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
diethyl 2-(2-chlorophenyl)-5-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]benzene-1,4-dicarboxylate
CID 138455792
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
ethyl 5-[4-[N-(4-dibenzothiophen-3-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2-(2-phenylphenyl)-4-propanoylbenzoate
CID 167169872
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
CID 118813125
ethyl 4-nitro-2,5-diphenylbenzoate
CID 164670587
diethyl 2-(3,5-dichlorophenyl)-5-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]benzene-1,4-dicarboxylate
CID 138455767
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
ethane;ethyl 2-(2-chloro-4-methylphenyl)benzoate
CID 143972666
ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
CID 122358417
diethyl 4-phenylpyrylium-2,6-dicarboxylate perchlorate
CID 44887846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate (CID 142540959) is ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate is CCOC(=O)c1cc(-c2ccccc2)c(C(=O)CC)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate?
The InChIKey is XNBRMUQWBMLWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2O3/c1-3-23(27)20-14-19(17-11-10-16(25)12-22(17)26)21(24(28)29-4-2)13-18(20)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate?
ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate has a molecular weight of 427.33 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate is sourced from PubChem (CID 142540959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).