[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate

C23H20O3 — CID 2926303

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
SMILESCc1ccc(C(=O)C(OC(=O)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20O3/c1-17-12-14-19(15-13-17)22(25)23(20-10-6-3-7-11-20)26-21(24)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3
InChIKeyZCYZNMAAPVTGGB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.70
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate (PubChem CID 2926303) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
PubChem CID2926303
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
SMILESCc1ccc(C(=O)C(OC(=O)Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20O3/c1-17-12-14-19(15-13-17)22(25)23(20-10-6-3-7-11-20)26-21(24)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3
InChIKeyZCYZNMAAPVTGGB-UHFFFAOYSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41020663
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811117
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(4-methylphenoxy)methyl]benzoate
CID 126185857
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate (CID 2926303) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate is Cc1ccc(C(=O)C(OC(=O)Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate?
The InChIKey is ZCYZNMAAPVTGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-17-12-14-19(15-13-17)22(25)23(20-10-6-3-7-11-20)26-21(24)16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate has a molecular weight of 344.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate is sourced from PubChem (CID 2926303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).