ethyl 5-oxo-3,4,5-triphenylpentanoate

C25H24O3 — CID 13074227

IUPACethyl 5-oxo-3,4,5-triphenylpentanoate
SMILESCCOC(=O)CC(c1ccccc1)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-2-28-23(26)18-22(19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)25(27)21-16-10-5-11-17-21/h3-17,22,24H,2,18H2,1H3
InChIKeyQLKCMOGDAJGDQJ-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.39
Rot. Bonds8

About ethyl 5-oxo-3,4,5-triphenylpentanoate

ethyl 5-oxo-3,4,5-triphenylpentanoate (PubChem CID 13074227) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is ethyl 5-oxo-3,4,5-triphenylpentanoate.

Molecular Properties

Compound Nameethyl 5-oxo-3,4,5-triphenylpentanoate
PubChem CID13074227
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Nameethyl 5-oxo-3,4,5-triphenylpentanoate
SMILESCCOC(=O)CC(c1ccccc1)C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-2-28-23(26)18-22(19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)25(27)21-16-10-5-11-17-21/h3-17,22,24H,2,18H2,1H3
InChIKeyQLKCMOGDAJGDQJ-UHFFFAOYSA-N
XLogP5.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3-triphenylhexane-1,5-dione
CID 538859
ethyl 4-nitroso-3-phenylpentanoate
CID 91897581
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
1-O,1-O-diethyl 3-O-methyl (2R)-2-phenylpropane-1,1,3-tricarboxylate
CID 102323443
diethyl 2-[(1S)-3-oxo-1-phenylbutyl]propanedioate
CID 11771185
methyl (3S)-4-benzoyl-5-oxo-3,5-diphenylpentanoate
CID 134842570
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
ethyl 4-benzylsulfonyl-3,4-diphenylbutanoate
CID 134086913
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 2,4-dioxo-3,4-diphenylbutanoate
CID 13028771
ethyl (2R,3R)-2-hydroxy-5-oxo-3-phenylhexanoate
CID 166438307
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-3,4,5-triphenylpentanoate?
The IUPAC name of ethyl 5-oxo-3,4,5-triphenylpentanoate (CID 13074227) is ethyl 5-oxo-3,4,5-triphenylpentanoate.
What is the SMILES notation for ethyl 5-oxo-3,4,5-triphenylpentanoate?
The canonical SMILES for ethyl 5-oxo-3,4,5-triphenylpentanoate is CCOC(=O)CC(c1ccccc1)C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 5-oxo-3,4,5-triphenylpentanoate?
The InChIKey is QLKCMOGDAJGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-2-28-23(26)18-22(19-12-6-3-7-13-19)24(20-14-8-4-9-15-20)25(27)21-16-10-5-11-17-21/h3-17,22,24H,2,18H2,1H3.
What are the key properties of ethyl 5-oxo-3,4,5-triphenylpentanoate?
ethyl 5-oxo-3,4,5-triphenylpentanoate has a molecular weight of 372.46 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-3,4,5-triphenylpentanoate is sourced from PubChem (CID 13074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).