[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

C23H17ClO5 — CID 8925584

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClO5/c24-19-10-6-16(7-11-19)21(25)14-29-22(26)15-28-20-12-8-18(9-13-20)23(27)17-4-2-1-3-5-17/h1-13H,14-15H2
InChIKeyBRFSFEJPLPKGFJ-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.38
Rot. Bonds8

About [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (PubChem CID 8925584) has the molecular formula C23H17ClO5 and a molecular weight of 408.84 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
PubChem CID8925584
Molecular FormulaC23H17ClO5
Molecular Weight408.84 g/mol
Exact Mass408.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClO5/c24-19-10-6-16(7-11-19)21(25)14-29-22(26)15-28-20-12-8-18(9-13-20)23(27)17-4-2-1-3-5-17/h1-13H,14-15H2
InChIKeyBRFSFEJPLPKGFJ-UHFFFAOYSA-N
XLogP4.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23735344

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate (CID 8925584) is [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is BRFSFEJPLPKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO5/c24-19-10-6-16(7-11-19)21(25)14-29-22(26)15-28-20-12-8-18(9-13-20)23(27)17-4-2-1-3-5-17/h1-13H,14-15H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 408.84 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 8925584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).