methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate

C24H19NO5 — CID 20649176

IUPACmethyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate
SMILESCOC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1-c1ccccc1C
InChIInChI=1S/C24H19NO5/c1-15-7-3-4-8-17(15)21-13-16(11-12-20(21)24(28)29-2)14-30-25-22(26)18-9-5-6-10-19(18)23(25)27/h3-13H,14H2,1-2H3
InChIKeyZAVLFRJKXWOESW-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.18
Rot. Bonds5

About methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate

methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate (PubChem CID 20649176) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate
PubChem CID20649176
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Namemethyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate
SMILESCOC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1-c1ccccc1C
InChIInChI=1S/C24H19NO5/c1-15-7-3-4-8-17(15)21-13-16(11-12-20(21)24(28)29-2)14-30-25-22(26)18-9-5-6-10-19(18)23(25)27/h3-13H,14H2,1-2H3
InChIKeyZAVLFRJKXWOESW-UHFFFAOYSA-N
XLogP4.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate?
The IUPAC name of methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate (CID 20649176) is methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate.
What is the SMILES notation for methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate?
The canonical SMILES for methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate is COC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1-c1ccccc1C.
What is the InChIKey of methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate?
The InChIKey is ZAVLFRJKXWOESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-15-7-3-4-8-17(15)21-13-16(11-12-20(21)24(28)29-2)14-30-25-22(26)18-9-5-6-10-19(18)23(25)27/h3-13H,14H2,1-2H3.
What are the key properties of methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate?
methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate has a molecular weight of 401.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-(2-methylphenyl)benzoate is sourced from PubChem (CID 20649176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).