ST026970
Basic information
- CAS
5711-42-2- Standard SMILES
COc1ccc2c(c1)CCC(C1(O)C(=O)N(C)c3ccccc31)C2=O- InChIKey
UHBGEPIIEYZMEG-UHFFFAOYSA-N- Molecular formula
- C20H19NO4
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.13140809
Names & identifiers
- Preferred name
- ST026970
- IUPAC
- 3-hydroxy-3-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1-methylindol-2-one
Names & synonyms
ST026970DTXSID003449515711-42-2RefChem:381324DTXCID80296025Cambridge id 5711422Oprea1_054742Oprea1_669857SCHEMBL10143933UHBGEPIIEYZMEG-UHFFFAOYSA-NAKOS000611561AKOS024279486
Show more names
WAY-3116963-hydroxy-3-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methyl-1,3-dihydro-2H-indol-2-oneAB00094369-01AG-205/12009141SR-01000522478SR-01000522478-13-hydroxy-3-(6-methoxy-1-oxo(2-2,3,4-trihydronaphthyl))-1-methylindolin-2-oneIndol-2(3H)-one, 3-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthyl)-3-hydroxy-1-methyl-
Database identifiers
- CAS
5711-42-2- PubChem CID
- 600668
- DTXSID
DTXSID00344951
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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