1,2-Naphthalenedione, 4-(pentyloxy)-
Basic information
- CAS
73685-31-1- Standard SMILES
CCCCCOC1=CC(=O)C(=O)c2ccccc21- InChIKey
AIIWIVACBZYIRO-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- 1,2-Naphthalenedione, 4-(pentyloxy)-
- IUPAC
- 4-pentoxynaphthalene-1,2-dione
Names & synonyms
1,2-Naphthalenedione, 4-(pentyloxy)-73685-31-14-Pentoxy-1,2-naphthoquinoneCHEMBL157679SCHEMBL4294847DTXSID202239564-(Pentyloxy)naphthalene-1,2-dione
Database identifiers
- CAS
73685-31-1- PubChem CID
- 153452
- DTXSID
DTXSID20223956- ChEMBL
CHEMBL157679
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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