1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

C18H17NO4 — CID 47082455

IUPAC1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(C)(c3ccccc3)C2=O)cc1O
InChIInChI=1S/C18H17NO4/c1-18(12-6-4-3-5-7-12)11-16(21)19(17(18)22)13-8-9-15(23-2)14(20)10-13/h3-10,20H,11H2,1-2H3
InChIKeyUOEFKLYJHPQHSR-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione

1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 47082455) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID47082455
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(C)(c3ccccc3)C2=O)cc1O
InChIInChI=1S/C18H17NO4/c1-18(12-6-4-3-5-7-12)11-16(21)19(17(18)22)13-8-9-15(23-2)14(20)10-13/h3-10,20H,11H2,1-2H3
InChIKeyUOEFKLYJHPQHSR-UHFFFAOYSA-N
XLogP2.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 47082455) is 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(C)(c3ccccc3)C2=O)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is UOEFKLYJHPQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(12-6-4-3-5-7-12)11-16(21)19(17(18)22)13-8-9-15(23-2)14(20)10-13/h3-10,20H,11H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 311.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 47082455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).