1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione

C14H17NO5 — CID 2221477

IUPAC1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione
SMILESCOc1cc(C)ccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C14H17NO5/c1-10-3-4-11(12(9-10)18-2)19-7-8-20-15-13(16)5-6-14(15)17/h3-4,9H,5-8H2,1-2H3
InChIKeyGPNXEQFTVVNUFS-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.46
Rot. Bonds6

About 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione

1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione (PubChem CID 2221477) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione
PubChem CID2221477
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione
SMILESCOc1cc(C)ccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C14H17NO5/c1-10-3-4-11(12(9-10)18-2)19-7-8-20-15-13(16)5-6-14(15)17/h3-4,9H,5-8H2,1-2H3
InChIKeyGPNXEQFTVVNUFS-UHFFFAOYSA-N
XLogP1.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]pyrrolidine-2,5-dione
CID 2221377
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione (CID 2221477) is 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione is COc1cc(C)ccc1OCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione?
The InChIKey is GPNXEQFTVVNUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10-3-4-11(12(9-10)18-2)19-7-8-20-15-13(16)5-6-14(15)17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione?
1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione has a molecular weight of 279.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)ethoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 2221477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).