[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate

C23H18O3 — CID 776025

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O3/c24-21(17-16-18-10-4-1-5-11-18)26-23(20-14-8-3-9-15-20)22(25)19-12-6-2-7-13-19/h1-17,23H/b17-16+/t23-/m1/s1
InChIKeyGMIIBLUETWDOTO-KXKTWFEWSA-N
MW342.39 g/mol
LogP4.87
Rot. Bonds6

About [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate

[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate (PubChem CID 776025) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
PubChem CID776025
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O3/c24-21(17-16-18-10-4-1-5-11-18)26-23(20-14-8-3-9-15-20)22(25)19-12-6-2-7-13-19/h1-17,23H/b17-16+/t23-/m1/s1
InChIKeyGMIIBLUETWDOTO-KXKTWFEWSA-N
XLogP4.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7852487
[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2346253
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
CID 9415418
[(1S)-2-oxo-1,2-diphenylethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 7792455
diaminomethyl 3-phenylprop-2-enoate
CID 59346009
difluoromethyl 3-phenylprop-2-enoate
CID 175215356
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
1-phenylethyl 3-phenylprop-2-enoate;bis(3-phenylprop-2-enoic acid)
CID 174981518
[1,2-bis(4-methylphenyl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 18285359
[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 138534410
(2-hydroxy-3-oxo-3-phenylpropyl) (E)-3-phenylprop-2-enoate
CID 11197215
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 7860673

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate (CID 776025) is [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is GMIIBLUETWDOTO-KXKTWFEWSA-N. The full InChI is InChI=1S/C23H18O3/c24-21(17-16-18-10-4-1-5-11-18)26-23(20-14-8-3-9-15-20)22(25)19-12-6-2-7-13-19/h1-17,23H/b17-16+/t23-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate?
[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 776025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).