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

C23H17NO4 — CID 9318151

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c24-14-20-8-4-5-9-22(20)27-16-23(26)28-15-21(25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,15-16H2
InChIKeyGBIIXRCFRJAJJA-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.03
Rot. Bonds7

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

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9318151) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9318151
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c24-14-20-8-4-5-9-22(20)27-16-23(26)28-15-21(25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,15-16H2
InChIKeyGBIIXRCFRJAJJA-UHFFFAOYSA-N
XLogP4.03
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 3316882
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-(2-cyanophenoxy)acetate
CID 23764293
3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
CID 51060089
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274969
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
2-(4-bromophenoxy)ethyl 2-(2-cyanophenoxy)acetate
CID 5157720
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate (CID 9318151) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is GBIIXRCFRJAJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c24-14-20-8-4-5-9-22(20)27-16-23(26)28-15-21(25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-13H,15-16H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 371.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9318151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).