(S)-1-(4-Benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol
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Basic information
- Standard SMILES
Oc1ccc(CCNC[C@H](O)COc2ccc(OCc3ccccc3)cc2)cc1- InChIKey
ASXXVEOSRKTBMI-QFIPXVFZSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-(4-Benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol
- IUPAC
- 4-[2-[[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]ethyl]phenol
Names & synonyms
SCHEMBL7558367ASXXVEOSRKTBMI-QFIPXVFZSA-N(S)-1-(4-Benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol
Database identifiers
- PubChem CID
- 9908577
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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