5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C20H19NO5 — CID 4988615

IUPAC5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C20H19NO5/c1-24-17-6-2-3-7-18(17)26-13-8-9-15-16(11-13)20(23)21(19(15)22)12-14-5-4-10-25-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyKKOMGSNGIGFOFC-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.26
Rot. Bonds5

About 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 4988615) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID4988615
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C20H19NO5/c1-24-17-6-2-3-7-18(17)26-13-8-9-15-16(11-13)20(23)21(19(15)22)12-14-5-4-10-25-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyKKOMGSNGIGFOFC-UHFFFAOYSA-N
XLogP3.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.26
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 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 4988615) is 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is COc1ccccc1Oc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is KKOMGSNGIGFOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-17-6-2-3-7-18(17)26-13-8-9-15-16(11-13)20(23)21(19(15)22)12-14-5-4-10-25-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3.
What are the key properties of 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 353.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 4988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).