[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate

C26H24O5 — CID 7839590

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
SMILESCCCc1ccc(C(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24O5/c1-2-6-19-9-11-20(12-10-19)24(27)17-31-25(28)18-30-23-15-13-22(14-16-23)26(29)21-7-4-3-5-8-21/h3-5,7-16H,2,6,17-18H2,1H3
InChIKeyQUUCGUAWWCXJDZ-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.68
Rot. Bonds10

About [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate

[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate (PubChem CID 7839590) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
PubChem CID7839590
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
SMILESCCCc1ccc(C(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24O5/c1-2-6-19-9-11-20(12-10-19)24(27)17-31-25(28)18-30-23-15-13-22(14-16-23)26(29)21-7-4-3-5-8-21/h3-5,7-16H,2,6,17-18H2,1H3
InChIKeyQUUCGUAWWCXJDZ-UHFFFAOYSA-N
XLogP4.68
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
methyl 2-(4-propylphenoxy)acetate
CID 19911850
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
(4-benzoyl-2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19179632

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate (CID 7839590) is [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate is CCCc1ccc(C(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is QUUCGUAWWCXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-2-6-19-9-11-20(12-10-19)24(27)17-31-25(28)18-30-23-15-13-22(14-16-23)26(29)21-7-4-3-5-8-21/h3-5,7-16H,2,6,17-18H2,1H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate?
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 416.47 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 7839590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).