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

C24H22O5 — CID 1316513

IUPAC[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22O5/c1-18-7-5-6-10-23(18)28-17-24(26)29-16-22(25)20-11-13-21(14-12-20)27-15-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3
InChIKeyGONJMMHSBXWGHU-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.38
Rot. Bonds9

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

[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate (PubChem CID 1316513) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate
PubChem CID1316513
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22O5/c1-18-7-5-6-10-23(18)28-17-24(26)29-16-22(25)20-11-13-21(14-12-20)27-15-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3
InChIKeyGONJMMHSBXWGHU-UHFFFAOYSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate (CID 1316513) is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is GONJMMHSBXWGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-18-7-5-6-10-23(18)28-17-24(26)29-16-22(25)20-11-13-21(14-12-20)27-15-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate?
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 390.44 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 1316513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).