2-[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-1H-indene-1,3(2H)-dione
Basic information
- CAS
38354-23-3- Standard SMILES
CC(C)c1cc(C2C(=O)c3ccccc3C2=O)cc(C(C)C)c1O- InChIKey
DQUKVLLRIXSWTF-UHFFFAOYSA-N- Molecular formula
- C21H22O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.15689456
Names & identifiers
- Preferred name
- 2-[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]indene-1,3-dione
Names & synonyms
38354-23-3NSC286319DTXSID503145882-[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-1H-indene-1,3(2H)-dioneNSC-286319DS-0033582-(4-hydroxy-3,5-dipropan-2-yl-phenyl)indene-1,3-dione
Database identifiers
- CAS
38354-23-3- PubChem CID
- 323709
- DTXSID
DTXSID50314588
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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