[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate

C29H24O3 — CID 2926355

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
SMILESCc1ccc(C(=O)C(OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H24O3/c1-21-17-19-24(20-18-21)27(30)28(25-15-9-4-10-16-25)32-29(31)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,26,28H,1H3
InChIKeyFEDPZWQLFDIRHM-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.29
Rot. Bonds7

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

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate (PubChem CID 2926355) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
PubChem CID2926355
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
SMILESCc1ccc(C(=O)C(OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H24O3/c1-21-17-19-24(20-18-21)27(30)28(25-15-9-4-10-16-25)32-29(31)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,26,28H,1H3
InChIKeyFEDPZWQLFDIRHM-UHFFFAOYSA-N
XLogP6.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811117
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2435251
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
[(1S)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 7873233
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(4-methylphenoxy)methyl]benzoate
CID 126185857
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41020663

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate (CID 2926355) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate is Cc1ccc(C(=O)C(OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate?
The InChIKey is FEDPZWQLFDIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O3/c1-21-17-19-24(20-18-21)27(30)28(25-15-9-4-10-16-25)32-29(31)26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-20,26,28H,1H3.
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate has a molecular weight of 420.51 g/mol, XLogP of 6.29, 7 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] 2,2-diphenylacetate is sourced from PubChem (CID 2926355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).