Basic information
- Standard SMILES
COc1cc2oc(=O)ccc2cc1OCC(O)CN1CCC(O)(c2ccccc2)CC1- InChIKey
KQVZDXBWOCELOH-UHFFFAOYSA-N- Molecular formula
- C24H27NO6
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-6-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-7-methoxy-2H-1-benzopyran-2-one
- IUPAC
- 6-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-7-methoxychromen-2-one
Names & synonyms
SCHEMBL8810686KQVZDXBWOCELOH-UHFFFAOYSA-N(+/-)-6-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-7-methoxy-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 19927673
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 626
Related reactions
1 records
Compound notes
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