Basic information
- Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(O)CCC3(C)C)cc1- InChIKey
RKAVXDSAMZQAFH-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-3-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate
Names & synonyms
SCHEMBL7636118RKAVXDSAMZQAFH-UHFFFAOYSA-NEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-3-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl ) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate
Database identifiers
- PubChem CID
- 3025972
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
11 records
Compound notes
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