Basic information
- Standard SMILES
COc1ccc2c(C(=O)C3CCCCC3)c(C)oc2c1- InChIKey
CPSKJYAPFCQJAG-UHFFFAOYSA-N- Molecular formula
- C17H20O3
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.1412445
Names & identifiers
- Preferred name
- Cyclohexyl(6-methoxy-2-methyl-1-benzofuran-3-yl)methanone
- IUPAC
- cyclohexyl-(6-methoxy-2-methyl-1-benzofuran-3-yl)methanone
Names & synonyms
SCHEMBL719422CPSKJYAPFCQJAG-UHFFFAOYSA-NDB-197977Cyclohexyl(6-methoxy-2-methyl-3-benzofuranyl)methanonecyclohexyl(6-methoxy-2-methyl-1-benzofuran-3-yl)methanone1186544-42-2
Database identifiers
- PubChem CID
- 66778158
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
4 records
Compound notes
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