3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione

C12H14N2O3 — CID 143951007

IUPAC3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)NC(C)(C)C2=O)cc1O
InChIInChI=1S/C12H14N2O3/c1-7-4-5-8(6-9(7)15)14-10(16)12(2,3)13-11(14)17/h4-6,15H,1-3H3,(H,13,17)
InChIKeyOWPCHLBSMMGDNA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds1

About 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione

3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 143951007) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID143951007
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)NC(C)(C)C2=O)cc1O
InChIInChI=1S/C12H14N2O3/c1-7-4-5-8(6-9(7)15)14-10(16)12(2,3)13-11(14)17/h4-6,15H,1-3H3,(H,13,17)
InChIKeyOWPCHLBSMMGDNA-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 143951007) is 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione is Cc1ccc(N2C(=O)NC(C)(C)C2=O)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OWPCHLBSMMGDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-5-8(6-9(7)15)14-10(16)12(2,3)13-11(14)17/h4-6,15H,1-3H3,(H,13,17).
What are the key properties of 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 143951007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).