Basic information
- Standard SMILES
CCC(CC)OCc1c(O)ccc2c1CCCC2=O- InChIKey
NLOCFJKZEYMDJT-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
Names & identifiers
- Preferred name
- 5-(1-Ethyl-propoxymethyl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 6-hydroxy-5-(pentan-3-yloxymethyl)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL6307619NLOCFJKZEYMDJT-UHFFFAOYSA-N5-(1-Ethyl-propoxymethyl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
Database identifiers
- PubChem CID
- 69737091
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
2 records
Compound notes
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