[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C19H15NO6 — CID 7951224

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-9H,10-11H2,1H3
InChIKeyIUXLOAQJSIFIET-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.72
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7951224) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7951224
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-9H,10-11H2,1H3
InChIKeyIUXLOAQJSIFIET-UHFFFAOYSA-N
XLogP1.72
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3-methylphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 973136
2-(2-(4-Fluorophenoxy)ethyl)isoindoline-1,3-dione
CID 2230352
Methyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxybenzoate
CID 728514
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522
2-ethoxyphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 734115
2,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 2193449
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(2-ethoxybenzoyl)amino]acetate
CID 2363865
4-methoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 2937346
2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 2991897
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 4885444
2-[2-(2,4-Dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 7960043
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24685954

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7951224) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is COc1ccccc1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is IUXLOAQJSIFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-25-16-9-5-4-8-14(16)15(21)11-26-17(22)10-20-18(23)12-6-2-3-7-13(12)19(20)24/h2-9H,10-11H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 353.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7951224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).