Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2ccccc2)c(C#CCC(C)C)c1- InChIKey
NKBHPDQCCMKDFN-UHFFFAOYSA-N- Molecular formula
- C21H22O2
- Average molar mass
- 306.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(Methyloxy)-2-(4-methyl-1-pentyn-1-yl)phenyl]-2-phenylethanone
- IUPAC
- 1-[4-methoxy-2-(4-methylpent-1-ynyl)phenyl]-2-phenylethanone
Names & synonyms
SCHEMBL3162969NKBHPDQCCMKDFN-UHFFFAOYSA-N1-[4-(Methyloxy)-2-(4-methyl-1-pentyn-1-yl)phenyl]-2-phenylethanone
Database identifiers
- PubChem CID
- 68534685
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
3 records
Compound notes
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