Basic information
- Standard SMILES
CN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCC(C)(CO)C2)cc1- InChIKey
GFRKAAHRMMHLEU-UHFFFAOYSA-N- Molecular formula
- C24H31NO3
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 4-{2-[4-(2-Dimethylamino-ethoxy)-phenyl]-4-hydroxymethyl-4-methyl-cyclohex-1-enyl}-phenol
- IUPAC
- 4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(hydroxymethyl)-4-methylcyclohexen-1-yl]phenol
Names & synonyms
SCHEMBL5387105GFRKAAHRMMHLEU-UHFFFAOYSA-N4-{2-[4-(2-dimethylamino-ethoxy)-phenyl]-4-hydroxymethyl-4-methyl-cyclohex-1-enyl}-phenol
Database identifiers
- PubChem CID
- 18436341
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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