5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

C12H14N2O3 — CID 4961761

IUPAC5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCc2ccc(O)cc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O3/c1-12(10(16)13-11(17)14-12)7-6-8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H2,13,14,16,17)
InChIKeyXUIFFZGCVHKMNX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.92
Rot. Bonds3

About 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4961761) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID4961761
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCc2ccc(O)cc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O3/c1-12(10(16)13-11(17)14-12)7-6-8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H2,13,14,16,17)
InChIKeyXUIFFZGCVHKMNX-UHFFFAOYSA-N
XLogP0.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
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 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione (CID 4961761) is 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is CC1(CCc2ccc(O)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XUIFFZGCVHKMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(10(16)13-11(17)14-12)7-6-8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H2,13,14,16,17).
What are the key properties of 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione?
5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4961761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).