1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

C18H15NO3 — CID 110581977

IUPAC1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-7-9-14(10-8-12)15-16(20)18(22)19(17(15)21)11-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3
InChIKeyDKRBCZIBTYXPCT-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.83
Rot. Bonds3

About 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110581977) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110581977
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-7-9-14(10-8-12)15-16(20)18(22)19(17(15)21)11-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3
InChIKeyDKRBCZIBTYXPCT-UHFFFAOYSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione 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

3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186
3-benzylsulfanyl-4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110572267
N-[4-[4-anilino-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596276
3-[benzyl(ethyl)amino]-4-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569288
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582624
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553
3-[benzyl(ethyl)amino]-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572801
1-[(2-chlorophenyl)methyl]-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582236
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
3-hydroxy-4-[4-(2-methylpropoxy)phenyl]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110584719

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110581977) is 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is DKRBCZIBTYXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-9-14(10-8-12)15-16(20)18(22)19(17(15)21)11-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 293.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).