(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate

C18H15NO5 — CID 660703

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO5/c1-23-13-8-6-12(7-9-13)10-16(20)24-11-19-17(21)14-4-2-3-5-15(14)18(19)22/h2-9H,10-11H2,1H3
InChIKeyPIIIPIIRBCFRKK-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.03
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate

(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate (PubChem CID 660703) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate
PubChem CID660703
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO5/c1-23-13-8-6-12(7-9-13)10-16(20)24-11-19-17(21)14-4-2-3-5-15(14)18(19)22/h2-9H,10-11H2,1H3
InChIKeyPIIIPIIRBCFRKK-UHFFFAOYSA-N
XLogP2.03
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.03
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 (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate (CID 660703) is (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is PIIIPIIRBCFRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-13-8-6-12(7-9-13)10-16(20)24-11-19-17(21)14-4-2-3-5-15(14)18(19)22/h2-9H,10-11H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 325.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 660703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).