Basic information
- Standard SMILES
OC1(N2CCOCC2)COc2ccccc2OC1- InChIKey
JPPMMUXBPAATGD-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 3-Morpholin-4-yl-2,4-dihydro-1,5-benzodioxepin-3-ol
- IUPAC
- 3-morpholin-4-yl-2,4-dihydro-1,5-benzodioxepin-3-ol
Names & synonyms
SCHEMBL11872556
Database identifiers
- PubChem CID
- 21553928
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Related reactions
1 records
Compound notes
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