[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate

C19H17NO5 — CID 23937192

IUPAC[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H17NO5/c1-13-5-2-3-8-16(13)24-12-19(23)25-15-7-4-6-14(11-15)20-17(21)9-10-18(20)22/h2-8,11H,9-10,12H2,1H3
InChIKeyYPIXUGBZSBJQLA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.63
Rot. Bonds5

About [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate

[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate (PubChem CID 23937192) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate
PubChem CID23937192
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H17NO5/c1-13-5-2-3-8-16(13)24-12-19(23)25-15-7-4-6-14(11-15)20-17(21)9-10-18(20)22/h2-8,11H,9-10,12H2,1H3
InChIKeyYPIXUGBZSBJQLA-UHFFFAOYSA-N
XLogP2.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,5-dioxopyrrolidin-1-yl)phenyl] acetate
CID 761230
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
5,6,7,8-tetrahydronaphthalen-2-yl 2-(2,3-dimethylphenoxy)acetate
CID 110493676
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,6-dimethylphenoxy)propanoate
CID 78895132
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
(2,6-dimethylphenyl) 2-phenoxyacetate
CID 678664
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
methyl 5-chloro-2-[2-(2-methylphenoxy)acetyl]oxybenzoate
CID 40597884

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate (CID 23937192) is [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)Oc1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate?
The InChIKey is YPIXUGBZSBJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-13-5-2-3-8-16(13)24-12-19(23)25-15-7-4-6-14(11-15)20-17(21)9-10-18(20)22/h2-8,11H,9-10,12H2,1H3.
What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate?
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate has a molecular weight of 339.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 23937192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).