[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate

C24H22O3 — CID 7228115

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H22O3/c1-18(19-8-4-2-5-9-19)16-24(26)27-17-23(25)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3/t18-/m0/s1
InChIKeyUIJJJRLUIFBOHG-SFHVURJKSA-N
MW358.44 g/mol
LogP5.27
Rot. Bonds7

About [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate

[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate (PubChem CID 7228115) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
PubChem CID7228115
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H22O3/c1-18(19-8-4-2-5-9-19)16-24(26)27-17-23(25)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3/t18-/m0/s1
InChIKeyUIJJJRLUIFBOHG-SFHVURJKSA-N
XLogP5.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Biphenylylacetic acid ethyl ester
CID 26436
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
Methyl 2-(3-benzoylphenyl)propanoate
CID 529083
2-Oxo-2-phenylethyl 4-methylbenzoate
CID 570679
Benzoin acetate
CID 95416
Pibecarb
CID 71114
Ethyl diphenylacetate
CID 226748
DL-Benzoin benzoate
CID 246708
Ethyl 2-(3-benzoylphenyl)propanoate
CID 9878873
Ethyl 2-(4-methylphenyl)-2-oxoacetate
CID 2736443

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate (CID 7228115) is [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate is C[C@@H](CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate?
The InChIKey is UIJJJRLUIFBOHG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22O3/c1-18(19-8-4-2-5-9-19)16-24(26)27-17-23(25)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate has a molecular weight of 358.44 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate is sourced from PubChem (CID 7228115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).