Basic information
- Standard SMILES
COC(=O)CC12CC3CC(C1)CC(c1ccccc1)(C3)C2- InChIKey
AWKJCFGQPAFWHO-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-phenyl-1-adamantaneacetate
- IUPAC
- methyl 2-(3-phenyl-1-adamantyl)acetate
Names & synonyms
SCHEMBL2257606AWKJCFGQPAFWHO-UHFFFAOYSA-Nmethyl 3-phenyl-1-adamantaneacetatemethyl (3-phenyl-1-adamantyl)acetate
Database identifiers
- PubChem CID
- 53665692
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
7 records
Compound notes
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