3-hydroxy-2-(phenylcarbonyl)-1H-inden-1-one
Basic information
- CAS
27832-50-4- Standard SMILES
O=C1C(=C(O)c2ccccc2)C(=O)c2ccccc21- InChIKey
LMYFYBHZOMGFRR-UHFFFAOYSA-N- Molecular formula
- C16H10O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.06299418
Names & identifiers
- Preferred name
- 3-hydroxy-2-(phenylcarbonyl)-1H-inden-1-one
- IUPAC
- 2-[hydroxy(phenyl)methylidene]indene-1,3-dione
Names & synonyms
27832-50-43-hydroxy-2-(phenylcarbonyl)-1H-inden-1-oneNSC375391Cambridge id 6986944MLS000112726CHEMBL1448041DTXSID40950510HMS2501A162-Benzoyl-3-hydroxy-1H-inden-1-oneAKOS016028411NSC-375391SMR000108636
Show more names
SR-01000248158SR-01000248158-1
Database identifiers
- CAS
27832-50-4- PubChem CID
- 341820
- DTXSID
DTXSID40950510- ChEMBL
CHEMBL1448041
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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