Basic information
- CAS
6312-49-8- Standard SMILES
Cc1cc(O)c(C(C)C)cc1NC1=CC(=O)c2ccccc2C1=O- InChIKey
XTVKGBNNQXZUTG-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- 2-[4-Hydroxy-2-methyl-5-(propan-2-yl)anilino]naphthalene-1,4-dione
- IUPAC
- 2-(4-hydroxy-2-methyl-5-propan-2-ylanilino)naphthalene-1,4-dione
Names & synonyms
6312-49-8NSC40343DTXSID202850542-[4-Hydroxy-2-methyl-5-(propan-2-yl)anilino]naphthalene-1,4-dioneNSC 40343NSC-40343
Database identifiers
- CAS
6312-49-8- PubChem CID
- 237103
- DTXSID
DTXSID20285054
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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