Basic information
- Standard SMILES
COc1cc2ccc(=O)oc2cc1OCC(O)CN1CCC(c2ccccc2)CC1- InChIKey
NAYLAECLCVEDBE-UHFFFAOYSA-N- Molecular formula
- C24H27NO5
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-7-[2-hydroxy-3-(4-phenyl-1-piperidinyl)-propoxy]-6-methoxy-2H-1-benzopyran-2-one
- IUPAC
- 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-6-methoxychromen-2-one
Names & synonyms
SCHEMBL8810380NAYLAECLCVEDBE-UHFFFAOYSA-N(+/-)-7-[2-hydroxy-3-(4-phenyl-1-piperidinyl)-propoxy]-6-methoxy-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 19927671
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
1 records
Compound notes
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