1,4-Naphthalenedione, 2-(1-hydroxyoctyl)-5,8-dimethoxy-
Basic information
- CAS
103547-38-2- Standard SMILES
CCCCCCCC(O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O- InChIKey
DERWTIOSMVBQLV-UHFFFAOYSA-N- Molecular formula
- C20H26O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17802393
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-(1-hydroxyoctyl)-5,8-dimethoxy-
- IUPAC
- 2-(1-hydroxyoctyl)-5,8-dimethoxynaphthalene-1,4-dione
Names & synonyms
1,4-Naphthalenedione, 2-(1-hydroxyoctyl)-5,8-dimethoxy-103547-38-2CHEMBL80896SCHEMBL8852432DTXSID104419052-(1-HYDROXYOCTYL)-5,8-DIMETHOXYNAPHTHALENE-1,4-DIONE
Database identifiers
- CAS
103547-38-2- PubChem CID
- 10569599
- DTXSID
DTXSID10441905- ChEMBL
CHEMBL80896- Nikkaji
- J928.775B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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