Basic information
- Standard SMILES
COC(=O)C=C1c2cc(OCc3ccccc3)ccc2CC1(C)C- InChIKey
XHZDBLAQWAUXKT-UHFFFAOYSA-N- Molecular formula
- C21H22O3
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- methyl 2-(2,2-dimethyl-6-phenylmethoxy-3H-inden-1-ylidene)acetate
- IUPAC
- methyl 2-(2,2-dimethyl-6-phenylmethoxy-3H-inden-1-ylidene)acetate
Names & synonyms
SCHEMBL3411073
Database identifiers
- PubChem CID
- 68632175
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
Loading…