5-(4-Hydroxyphenyl)imidazolidine-2,4-dione

C9H8N2O3CAS 2420-17-9192.17 g/mol

Open in Covalent MOL file
OHNONHOH
AmideLactamPhenolUrea

Properties

Molecular formula
C9H8N2O3
Molar mass
192.17 g/mol
Exact mass
192.0535 Da
Melting point
262 °C
logP
0.27Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
2420-17-9
SMILES
C1=CC(=CC=C1C2C(=O)NC(=O)N2)O
InChIKey
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)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.50 (br s, 1H), 7.24 (d, J = 7.7 Hz, 2H), 6.80 (d, J = 7.7 Hz, 2H), 5.53 (d, J = 5.0 Hz, 1H), 5.30 (br s, 1H), 5.00 (br d, J = 5.0 Hz, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 175.3, 158.6, 153.5, 135.8, 128.4, 115.6, 63.9.
[M + H]+
[M + H]+ Calcd for C9H9N2O3 193.0608
[M + Na]+
[M + Na]+ Calcd for C9H8N2NaO3 215.0427
[M − H]−
[M − H]− Calcd for C9H7N2O3 191.0462
Elemental analysis
Anal. Calcd for C9H8N2O3: C, 56.25; H, 4.20; N, 14.58.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 5-(4-Hydroxyphenyl)-2,4-imidazolidinedione
  • 2,4-Imidazolidinedione, 5-(4-hydroxyphenyl)-
  • Hydantoin, 5-(p-hydroxyphenyl)-
  • 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

Work with 5-(4-Hydroxyphenyl)imidazolidine-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-(4-Hydroxyphenyl)-2,4-imidazolidinedione54832-24-5

Similar compounds

Phenylhydantoin89-24-769 % similar 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-341 % similar Amoxicillin piperazine-2,5-dione94659-47-941 % similar N-Boc-4-Hydroxyphenyl-DL-glycine53249-34-640 % similar 4-Hydroxymandelic acid1198-84-139 % similar D-P-Hydroxyphenylglycine22818-40-238 % similar Oxfenicine32462-30-938 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-9 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-8 5-Methoxy-1H-indazole-3-carboxylic acid90417-53-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook