Barbituric acid, 1-(4-hydroxycyclohexyl)-5-phenyl-
Basic information
- CAS
4102-01-6- Standard SMILES
O=C1NC(=O)N(C2CCC(O)CC2)C(=O)C1c1ccccc1- InChIKey
HRVVJJDUNHCKES-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- Barbituric acid, 1-(4-hydroxycyclohexyl)-5-phenyl-
- IUPAC
- 1-(4-hydroxycyclohexyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 1-(4-Hydroxycyclohexyl)-5-phenylbarbituric acid
- Molecular weight
- 0
Names & synonyms
4102-01-6Barbituric acid, 1-(4-hydroxycyclohexyl)-5-phenyl-RefChem:10774941-(4-Hydroxycyclohexyl)-5-phenylbarbituric acidBRN 0762286DTXSID809613876-Hydroxy-3-(4-hydroxycyclohexyl)-5-phenylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
4102-01-6- PubChem CID
- 199389
- DTXSID
DTXSID80961387- Nikkaji
- J62.466G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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