Basic information
- CAS
53608-00-7- Standard SMILES
CC(C)c1cc(C=C2C(=O)c3ccccc3C2=O)cc(C(C)C)c1O- InChIKey
BNXHOASWMHXZOK-UHFFFAOYSA-N- Molecular formula
- C22H22O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.15689456
Names & identifiers
- Preferred name
- 2-{[4-Hydroxy-3,5-di(propan-2-yl)phenyl]methylidene}-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]indene-1,3-dione
Names & synonyms
53608-00-7NSC281762DTXSID90314264NSC-2817622-{[4-Hydroxy-3,5-di(propan-2-yl)phenyl]methylidene}-1H-indene-1,3(2H)-dioneDS-0037682-[(4-hydroxy-3,5-dipropan-2-yl-phenyl)methylidene]indene-1,3-dione
Database identifiers
- CAS
53608-00-7- PubChem CID
- 323040
- DTXSID
DTXSID90314264
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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