Basic information
- Standard SMILES
COC(=O)c1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1- InChIKey
LUGWXJMLFWEDAK-UHFFFAOYSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- Methyl 3-(1-adamantyl)-4-methoxybenzoate
- IUPAC
- methyl 3-(1-adamantyl)-4-methoxybenzoate
Names & synonyms
SCHEMBL566278SCHEMBL9350322LUGWXJMLFWEDAK-UHFFFAOYSA-Nmethyl-3-(1-admantyl)-4-methoxybenzoatemethyl 3-(1-adamantyl)-4-methoxybenzoatemethyl-3-(1-adamantyl)-4-methoxybenzoate
Database identifiers
- PubChem CID
- 14549070
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
4 records
Compound notes
Loading…