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

C23H20O4 — CID 1324506

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20O4/c1-17-7-5-6-10-22(17)26-16-23(25)27-15-21(24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3
InChIKeyJIORFTMRGPUWON-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.47
Rot. Bonds7

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

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate (PubChem CID 1324506) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate
PubChem CID1324506
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20O4/c1-17-7-5-6-10-22(17)26-16-23(25)27-15-21(24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3
InChIKeyJIORFTMRGPUWON-UHFFFAOYSA-N
XLogP4.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate (CID 1324506) is [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is JIORFTMRGPUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-17-7-5-6-10-22(17)26-16-23(25)27-15-21(24)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate?
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 360.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 1324506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).