1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione

C18H17NO4 — CID 67449340

IUPAC1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(OCOCc3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO4/c20-16-10-18(21)19(11-16)15-6-8-17(9-7-15)23-13-22-12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyOJKCUDKGIXKAEK-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.55
Rot. Bonds6

About 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione

1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione (PubChem CID 67449340) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione
PubChem CID67449340
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(OCOCc3ccccc3)cc2)C1
InChIInChI=1S/C18H17NO4/c20-16-10-18(21)19(11-16)15-6-8-17(9-7-15)23-13-22-12-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyOJKCUDKGIXKAEK-UHFFFAOYSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
CID 54227295
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
1-(1-benzylpyrazol-4-yl)pyrrolidine-2,4-dione
CID 130948212
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione (CID 67449340) is 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione is O=C1CC(=O)N(c2ccc(OCOCc3ccccc3)cc2)C1.
What is the InChIKey of 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione?
The InChIKey is OJKCUDKGIXKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-16-10-18(21)19(11-16)15-6-8-17(9-7-15)23-13-22-12-14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione?
1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 67449340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).