Basic information
- CAS
88655-26-9- Standard SMILES
Cc1cc(CCn2ccc(=O)[nH]c2=O)ccc1OC(C)C- InChIKey
ABIXCUONJYDIPD-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-(3-methyl-4-(1-methylethoxy)phenyl)ethyl)-
- IUPAC
- 1-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]pyrimidine-2,4-dione
Names & synonyms
BRN 55867282,4(1H,3H)-Pyrimidinedione, 1-(2-(3-methyl-4-(1-methylethoxy)phenyl)ethyl)-88655-26-91-(2-(3-Methyl-4-(1-methylethoxy)phenyl)ethyl)-2,4(1H,3H)-pyrimidinedioneDTXSID10237224RefChem:245289DTXCID101597151-(2-{3-Methyl-4-[(propan-2-yl)oxy]phenyl}ethyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
88655-26-9- PubChem CID
- 5744037
- DTXSID
DTXSID10237224
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…