Basic information
- CAS
27929-84-6- Standard SMILES
CC1=NCC(O)COc2c(C)cc(C)cc21- InChIKey
IQOZKTSFXCYCJD-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 3,4-Dihydro-3-hydroxy-6,8,10-trimethyl-1,5-benzoxazocine
- IUPAC
- 6,8,10-trimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
- English name
- 3,4-Dihydro-6,8,10-trimethyl-2H-1,5-benzoxazocin-3-ol
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
3,4-Dihydro-3-hydroxy-6,8,10-trimethyl-1,5-benzoxazocine27929-84-6BRN 49152102H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6,8,10-trimethyl-2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-6,8,10-TRIMETHYL-DTXSID3013842083,4-Dihydro-6,8,10-trimethyl-2H-1,5-benzoxazocin-3-ol
Database identifiers
- CAS
27929-84-6- PubChem CID
- 34067
- DTXSID
DTXSID301384208- Nikkaji
- J41.900A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…