(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate

C18H15NO4 — CID 19969059

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)23-18(22)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyHUSRUXIRBDECOG-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.50
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate

(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate (PubChem CID 19969059) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
PubChem CID19969059
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)23-18(22)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyHUSRUXIRBDECOG-UHFFFAOYSA-N
XLogP2.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(6-phenyl-3-pyridinyl)acetate
CID 176648871
(2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate
CID 13421299
(2,5-dioxopyrrolidin-1-yl) 2-(4-iodophenyl)acetate;1-hydroxypyrrolidine-2,5-dione;2-(4-iodophenyl)acetic acid
CID 159043803
(2,5-dioxopyrrolidin-1-yl) 2-[4-di(propan-2-yl)silylphenyl]acetate;2-[4-di(propan-2-yl)silylphenyl]acetic acid
CID 159788892
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
CID 143652418
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
(2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoate
CID 23002661
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
1-O-benzyl 4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] butanedioate
CID 90379430
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
CID 58482193
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]phenyl]acetate
CID 146639752
(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
CID 11732990

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate (CID 19969059) is (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate is O=C(Cc1ccc(-c2ccccc2)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate?
The InChIKey is HUSRUXIRBDECOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16-10-11-17(21)19(16)23-18(22)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate?
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate has a molecular weight of 309.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 19969059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).