Basic information
- Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3O)cc1- InChIKey
ILCSABWKYUZMKY-UHFFFAOYSA-N- Molecular formula
- C23H24O3
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate
Names & synonyms
SCHEMBL7640501ILCSABWKYUZMKY-UHFFFAOYSA-NEthyl 4- [(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-2-yl)ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl ) ethynyl ]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
Database identifiers
- PubChem CID
- 15391671
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Related reactions
36 records
Linked notes
Loading…