Basic information
- Standard SMILES
COc1ccc(CC2Cc3c(C)cc(C)c(O)c3C2=O)cc1- InChIKey
CCTPBSKHFZALKY-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
Names & identifiers
- Preferred name
- 2,3-dihydro-4,6-dimethyl-7-hydroxy-2-(4-methoxybenzyl)-1H-inden-1-one
- IUPAC
- 7-hydroxy-2-[(4-methoxyphenyl)methyl]-4,6-dimethyl-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL9579219CCTPBSKHFZALKY-UHFFFAOYSA-N2,3-dihydro-4, 6-dimethyl-7-hydroxy-2-(4-methoxybenzyl)-1H-inden-1-one2,3-dihydro-4,6-dimethyl-7-hydroxy-2-(4-methoxybenzyl)-1H-inden-1-one
Database identifiers
- PubChem CID
- 14834733
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
6 records
Compound notes
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