3,4-Dihydro-3-hydroxy-6-isopropyl-1,5-benzoxazocine
Basic information
- CAS
27929-83-5- Standard SMILES
CC(C)C1=NCC(O)COc2ccccc21- InChIKey
RUHUOIYIOUUNCU-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-isopropyl-1,5-benzoxazocine
- IUPAC
- 6-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
- English name
- 3,4-Dihydro-6-isopropyl-2H-1,5-benzoxazocin-3-ol
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
3,4-Dihydro-3-hydroxy-6-isopropyl-1,5-benzoxazocine27929-83-5BRN 49152532H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6-isopropyl-2H-1,5-BENZOXAZOCIN-3-OL, 3,4-DIHYDRO-6-ISOPROPYL-DTXSID9013842063,4-Dihydro-6-isopropyl-2H-1,5-benzoxazocin-3-ol2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-(1-methylethyl)-
Database identifiers
- CAS
27929-83-5- PubChem CID
- 34066
- DTXSID
DTXSID901384206- Nikkaji
- J41.901J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
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