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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
Names and Synonyms:
5-(4-Hydroxyphenyl)-2,4-Imidazolidinedione
2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)-
Hydantoin, 5-(p-hydroxyphenyl)-
5-(4-Hydroxyphenyl)-2,4-imidazolidinedione
5-(p-Hydroxyphenyl)hydantoin
5-(4-Hydroxyphenyl)hydantoin
p-Hydroxyphenylhydantoin
DL-5-(4-Hydroxyphenyl)hydantoin
DL-5-p-Hydroxyphenylhydantoin
(±)-5-(4-Hydroxyphenyl)hydantoin
NSC 101474
Identifiers:
SMILES:
OC1=NC(c2ccc(O)cc2)C(O)=N1
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)
Key Properties
Melting Point
262 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.17 g/mol | CAS Common Chemistry |
| 192.174 g/mol | RDKit | |
| 192.053492116 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 |
| LogP | 1.3174 | RDKit |
| Molar Refractivity | 50.975400000000015 | RDKit |
