1-(1,3-Benzodioxol-5-yl)-3-[4-(1,1-dimethylethyl)phenyl]-2-propen-1-one
Basic information
- CAS
423740-32-3- Standard SMILES
CC(C)(C)c1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1- InChIKey
DKCRWBSSRZAIIY-UHFFFAOYSA-N- Molecular formula
- C20H20O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.1412445
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-3-[4-(1,1-dimethylethyl)phenyl]-2-propen-1-one
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
Names & synonyms
CBMicro_038638DTXSID4011521091-(1,3-Benzodioxol-5-yl)-3-[4-(1,1-dimethylethyl)phenyl]-2-propen-1-one423740-32-31-(2H-1,3-Benzodioxol-5-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
Database identifiers
- CAS
423740-32-3- PubChem CID
- 2878293
- DTXSID
DTXSID401152109
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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