Basic information
- Standard SMILES
COc1ccc(C(C)(C)C#Cc2ccccc2)cc1C=O- InChIKey
RHVNBIWFNADZDK-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
Names & identifiers
- Preferred name
- 5-(3-Phenyl-1,1-dimethyl-2-propynyl)-2-methoxybenzaldehyde
- IUPAC
- 2-methoxy-5-(2-methyl-4-phenylbut-3-yn-2-yl)benzaldehyde
Names & synonyms
SCHEMBL7591439RHVNBIWFNADZDK-UHFFFAOYSA-N5-(3-Phenyl-1,1-dimethyl-2-propynyl)-2-methoxybenzaldehyde
Database identifiers
- PubChem CID
- 19066493
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
4 records
Compound notes
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