[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate

C28H22O3 — CID 7704319

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22O3/c29-27(26-17-15-25(16-18-26)23-9-5-2-6-10-23)20-31-28(30)19-21-11-13-24(14-12-21)22-7-3-1-4-8-22/h1-18H,19-20H2
InChIKeyFBIVKDJPHXYJCA-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.99
Rot. Bonds7

About [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7704319) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID7704319
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H22O3/c29-27(26-17-15-25(16-18-26)23-9-5-2-6-10-23)20-31-28(30)19-21-11-13-24(14-12-21)22-7-3-1-4-8-22/h1-18H,19-20H2
InChIKeyFBIVKDJPHXYJCA-UHFFFAOYSA-N
XLogP5.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904837
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703831
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 23934910
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2536174
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 2099230

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate (CID 7704319) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate is O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is FBIVKDJPHXYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c29-27(26-17-15-25(16-18-26)23-9-5-2-6-10-23)20-31-28(30)19-21-11-13-24(14-12-21)22-7-3-1-4-8-22/h1-18H,19-20H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 406.48 g/mol, XLogP of 5.99, 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] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7704319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).