(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate

C23H20O4 — CID 2912459

IUPAC(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4/c1-17-10-8-9-15-20(17)26-16-21(24)27-23(19-13-6-3-7-14-19)22(25)18-11-4-2-5-12-18/h2-15,23H,16H2,1H3
InChIKeyGTIVNJVEMYPPSB-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.54
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate

(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate (PubChem CID 2912459) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
PubChem CID2912459
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4/c1-17-10-8-9-15-20(17)26-16-21(24)27-23(19-13-6-3-7-14-19)22(25)18-11-4-2-5-12-18/h2-15,23H,16H2,1H3
InChIKeyGTIVNJVEMYPPSB-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
CID 4205916
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
CID 7767655
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7889835
(2-oxo-1,2-diphenylethyl) but-3-enoate
CID 175286629
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
2-methoxy-N'-[2-(2-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4166134
(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate
CID 23906655
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 126185892
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate (CID 2912459) is (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate?
The InChIKey is GTIVNJVEMYPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-17-10-8-9-15-20(17)26-16-21(24)27-23(19-13-6-3-7-14-19)22(25)18-11-4-2-5-12-18/h2-15,23H,16H2,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate?
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate has a molecular weight of 360.41 g/mol, XLogP of 4.54, 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-(2-methylphenoxy)acetate is sourced from PubChem (CID 2912459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).