Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1- InChIKey
HAXDYKHDCBUWIT-UHFFFAOYSA-N- Molecular formula
- C28H28O3
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]benzoate
- IUPAC
- methyl 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]benzoate
Names & synonyms
SCHEMBL7926577HAXDYKHDCBUWIT-UHFFFAOYSA-Nmethyl 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]benzoate
Database identifiers
- PubChem CID
- 22000367
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
5 records
Compound notes
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