Back to Search
Molecule
5-(4-Hydroxyphenyl)-2,4-Imidazolidinedione
CAS: 54832-24-5 · C9H8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54832-24-5
- Molecular Formula
- C9H8N2O3
- Molecular Mass
- 192.17 g/mol
Identifiers
CAS Registry Number
54832-24-5
SMILES
OC1=NC(c2ccc(O)cc2)C(O)=N1
InChI Key
UMTNMIARZPDSDI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14)
Names and Synonyms
- 5-(4-Hydroxyphenyl)-2,4-Imidazolidinedione Systematic Name
- 2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)- Synonym
- Hydantoin, 5-(p-hydroxyphenyl)- Synonym
- 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione Synonym
- 5-(p-Hydroxyphenyl)hydantoin Synonym
- 5-(4-Hydroxyphenyl)hydantoin Synonym
- p-Hydroxyphenylhydantoin Synonym
- DL-5-(4-Hydroxyphenyl)hydantoin Synonym
- DL-5-p-Hydroxyphenylhydantoin Synonym
- (±)-5-(4-Hydroxyphenyl)hydantoin Synonym
- NSC 101474 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.17 g/mol | CAS Common Chemistry |
| 192.174 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)C(N1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8N2O3/c12-6-3-1-5(2-4-6)7-8(13)11-9(14)10-7/h1-4,7,12H,(H2,10,11,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=UMTNMIARZPDSDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 262 °C | CAS Common Chemistry |
| Name | 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.41000000000001 Ų | RDKit |
| 85.41 Ų | RDKit | |
| LogP | 1.3174 | RDKit |
| Molar Refractivity | 50.975400000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 192.053492116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 192.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H8N2O3.
