Basic information
- CAS
54808-21-8- Standard SMILES
COc1ccc(C2=C(O)c3ccccc3C(=O)C2=O)cc1- InChIKey
QGHQCUNMKDPNOK-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-hydroxy-3-(4-methoxyphenyl)-
- IUPAC
- 4-hydroxy-3-(4-methoxyphenyl)naphthalene-1,2-dione
Names & synonyms
1,4-Naphthalenedione, 2-hydroxy-3-(4-methoxyphenyl)-54808-21-84-hydroxy-3-(4-methoxyphenyl)naphthalene-1,2-dioneCHEMBL42854382-hydroxy-3-(4-methoxyphenyl)naphthalene-1,4-dioneCambridge id 5325853Oprea1_547131SCHEMBL14773924DTXSID00355264BDBM50464476SR-01000204764SR-01000204764-1
Database identifiers
- CAS
54808-21-8- PubChem CID
- 795102
- DTXSID
DTXSID00355264- ChEMBL
CHEMBL4285438- Nikkaji
- J890.876A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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