1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-
Basic information
- CAS
62367-90-2- Standard SMILES
CC(=O)/C(=C\c1ccccc1O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12- InChIKey
QSVJEDRNYGBKPZ-HMMYKYKNSA-N- Molecular formula
- C25H19NO3
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13649347
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-
- IUPAC
- (2E)-2-[(2-hydroxyphenyl)methylidene]-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Names & synonyms
1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-62367-90-2RefChem:1052754BRN 16007071-(2-Phenyl-1H-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-1,3-butanedione1H-Indole, 3-(1,3-dioxo-2-((2-hydroxyphenyl)methylene)butyl)-2-phenyl-5-21-13-00417 (Beilstein Handbook Reference)
Database identifiers
- CAS
62367-90-2- PubChem CID
- 6446539
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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