(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate

C37H37NO9 — CID 89011639

IUPAC(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate
SMILESCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C37H37NO9/c1-42-20-21-43-22-23-44-24-25-45-26-27-46-37(29-10-4-2-5-11-29,30-12-6-3-7-13-30)31-18-16-28(17-19-31)36(41)47-38-34(39)32-14-8-9-15-33(32)35(38)40/h2-19H,20-27H2,1H3
InChIKeyOEQFWQXEVPUQNJ-UHFFFAOYSA-N
MW639.70 g/mol
LogP5.06
Rot. Bonds18

About (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate

(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate (PubChem CID 89011639) has the molecular formula C37H37NO9 and a molecular weight of 639.70 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate
PubChem CID89011639
Molecular FormulaC37H37NO9
Molecular Weight639.70 g/mol
Exact Mass639.25
IUPAC Name(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate
SMILESCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C37H37NO9/c1-42-20-21-43-22-23-44-24-25-45-26-27-46-37(29-10-4-2-5-11-29,30-12-6-3-7-13-30)31-18-16-28(17-19-31)36(41)47-38-34(39)32-14-8-9-15-33(32)35(38)40/h2-19H,20-27H2,1H3
InChIKeyOEQFWQXEVPUQNJ-UHFFFAOYSA-N
XLogP5.06
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.70
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate 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 (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate (CID 89011639) is (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate is COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate?
The InChIKey is OEQFWQXEVPUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO9/c1-42-20-21-43-22-23-44-24-25-45-26-27-46-37(29-10-4-2-5-11-29,30-12-6-3-7-13-30)31-18-16-28(17-19-31)36(41)47-38-34(39)32-14-8-9-15-33(32)35(38)40/h2-19H,20-27H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate?
(1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate has a molecular weight of 639.70 g/mol, XLogP of 5.06, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy-diphenylmethyl]benzoate is sourced from PubChem (CID 89011639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).