Basic information
- Standard SMILES
CCCOCc1c(O)ccc2c1CCCC2=O- InChIKey
DWBFPJMJMNXUMZ-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-5-propoxymethyl-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 6-hydroxy-5-(propoxymethyl)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL6302057DWBFPJMJMNXUMZ-UHFFFAOYSA-N6-Hydroxy-5-propoxymethyl-3,4-dihydro-2H-naphthalen-1-one
Database identifiers
- PubChem CID
- 22324744
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
2 records
Compound notes
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