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Basic information
- Standard SMILES
NC[C@H](O)COc1ccc(OCc2ccccc2)cc1- InChIKey
BUDGFVPYCANIRC-AWEZNQCLSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
Names & identifiers
- Preferred name
- (2S)-1-amino-3-(4-benzyloxy-phenoxy)-propan-2-ol
- IUPAC
- (2S)-1-amino-3-(4-phenylmethoxyphenoxy)propan-2-ol
Names & synonyms
SCHEMBL6075106BUDGFVPYCANIRC-AWEZNQCLSA-N(2S)1-Amino-3-(4-benzyloxy-phenoxy)-propan-2-ol(2S)-1-amino-3-(4-benzyloxy-phenoxy)-propan-2-ol
Database identifiers
- PubChem CID
- 12044729
- Nikkaji
- J1.867.620F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Related reactions
11 records
Compound notes
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