Basic information
- Standard SMILES
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)C1CCC2(CC1)OCCO2- InChIKey
HILUJQCLCKKPSG-QPLCGJKRSA-N- Molecular formula
- C27H35NO4
- Average molar mass
- 437.6 g/mol
Names & identifiers
- Preferred name
- (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-(1,4-dioxaspiro-[4.5]decan-8-yl)but-1-enyl)phenol
- IUPAC
- 4-[(Z)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[4-[2-(methylamino)ethoxy]phenyl]but-1-enyl]phenol
Names & synonyms
SCHEMBL15069354HILUJQCLCKKPSG-QPLCGJKRSA-N(Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-(1,4-dioxaspiro-[4.5]decan-8-yl)but-1-enyl)phenol(Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-(1,4-dioxaspiro[4.5]decan-8-yl)but-1-enyl)phenol
Database identifiers
- PubChem CID
- 89657384
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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