(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate

C22H17ClO4 — CID 3488846

IUPAC(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17ClO4/c23-18-11-13-19(14-12-18)26-15-20(24)27-22(17-9-5-2-6-10-17)21(25)16-7-3-1-4-8-16/h1-14,22H,15H2
InChIKeyHFKZWCZUWQQDPN-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.89
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate

(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate (PubChem CID 3488846) has the molecular formula C22H17ClO4 and a molecular weight of 380.83 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
PubChem CID3488846
Molecular FormulaC22H17ClO4
Molecular Weight380.83 g/mol
Exact Mass380.08
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17ClO4/c23-18-11-13-19(14-12-18)26-15-20(24)27-22(17-9-5-2-6-10-17)21(25)16-7-3-1-4-8-16/h1-14,22H,15H2
InChIKeyHFKZWCZUWQQDPN-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[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) 2-(2-methylphenoxy)acetate
CID 2912459
[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
CID 2496297
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-butoxybenzoate
CID 126189583
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
CID 7701818
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 126187299
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate (CID 3488846) is (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate?
The InChIKey is HFKZWCZUWQQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO4/c23-18-11-13-19(14-12-18)26-15-20(24)27-22(17-9-5-2-6-10-17)21(25)16-7-3-1-4-8-16/h1-14,22H,15H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate?
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate has a molecular weight of 380.83 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 3488846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).