3-(2-Cyclohexylideneethyl)-4-hydroxynaphthalene-1,2-dione
Basic information
- CAS
36417-21-7- Standard SMILES
O=C1C(=O)c2ccccc2C(O)=C1CC=C1CCCCC1- InChIKey
WCAKCFMWFQIPBO-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 3-(2-Cyclohexylideneethyl)-4-hydroxynaphthalene-1,2-dione
- IUPAC
- 3-(2-cyclohexylideneethyl)-4-hydroxynaphthalene-1,2-dione
Names & synonyms
3-(2-cyclohexylideneethyl)-4-hydroxynaphthalene-1,2-dione36417-21-7NSC132322DTXSID90299729NSC-132322
Database identifiers
- CAS
36417-21-7- PubChem CID
- 280567
- DTXSID
DTXSID90299729
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…