[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate

C24H20O5 — CID 7203723

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20O5/c1-2-28-21-14-12-17(13-15-21)22(25)16-29-24(27)20-10-8-19(9-11-20)23(26)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyYIWDDSXSLZCRLP-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.36
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 7203723) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID7203723
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20O5/c1-2-28-21-14-12-17(13-15-21)22(25)16-29-24(27)20-10-8-19(9-11-20)23(26)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
InChIKeyYIWDDSXSLZCRLP-UHFFFAOYSA-N
XLogP4.36
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
(4-ethoxyphenyl)methyl benzoate
CID 91595481
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 33106855
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
phenacyl 4-aminobenzoate
CID 781350

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate (CID 7203723) is [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate is CCOc1ccc(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is YIWDDSXSLZCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O5/c1-2-28-21-14-12-17(13-15-21)22(25)16-29-24(27)20-10-8-19(9-11-20)23(26)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 7203723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).