Basic information
- Standard SMILES
COc1ccc(C(=O)OCc2ccc(C=O)cc2)cc1C(C)(C)C- InChIKey
QODNHHJKCJHFCT-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-tert-Butyl-4-methoxybenzoyloxymethyl)benzaldehyde
- IUPAC
- (4-formylphenyl)methyl 3-tert-butyl-4-methoxybenzoate
Names & synonyms
SCHEMBL8839261SCHEMBL9350564QODNHHJKCJHFCT-UHFFFAOYSA-N4-(3-tert-Butyl-4-methoxybenzoyloxymethyl) benzaldehyde4-(3-tert-Butyl-4-methoxybenzoyloxymethyl)benzaldehyde
Database identifiers
- PubChem CID
- 21474525
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 418
Related reactions
12 records
Compound notes
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