[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate

C23H19ClO3 — CID 5023536

IUPAC[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO3/c24-20-14-12-19(13-15-20)23(22(26)18-9-5-2-6-10-18)27-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,23H,11,16H2
InChIKeyWBJGBAKHDXJWJA-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.44
Rot. Bonds7

About [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate (PubChem CID 5023536) has the molecular formula C23H19ClO3 and a molecular weight of 378.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
PubChem CID5023536
Molecular FormulaC23H19ClO3
Molecular Weight378.86 g/mol
Exact Mass378.10
IUPAC Name[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO3/c24-20-14-12-19(13-15-20)23(22(26)18-9-5-2-6-10-18)27-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,23H,11,16H2
InChIKeyWBJGBAKHDXJWJA-UHFFFAOYSA-N
XLogP5.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
CID 22305550
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 163338483
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 126190062
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
CID 4205916
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate?
The IUPAC name of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate (CID 5023536) is [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate?
The canonical SMILES for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate is O=C(CCc1ccccc1)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate?
The InChIKey is WBJGBAKHDXJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO3/c24-20-14-12-19(13-15-20)23(22(26)18-9-5-2-6-10-18)27-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,23H,11,16H2.
What are the key properties of [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate?
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate has a molecular weight of 378.86 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate is sourced from PubChem (CID 5023536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).