2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate

C19H17NO6 — CID 1186683

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO6/c1-24-13-6-8-14(9-7-13)26-12-17(21)25-11-10-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-9H,10-12H2,1H3
InChIKeyJLTHDKINJHEGRP-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.91
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate (PubChem CID 1186683) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate
PubChem CID1186683
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO6/c1-24-13-6-8-14(9-7-13)26-12-17(21)25-11-10-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-9H,10-12H2,1H3
InChIKeyJLTHDKINJHEGRP-UHFFFAOYSA-N
XLogP1.91
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate (CID 1186683) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate?
The InChIKey is JLTHDKINJHEGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-24-13-6-8-14(9-7-13)26-12-17(21)25-11-10-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-9H,10-12H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate has a molecular weight of 355.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 1186683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).