1-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-ethanone
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Basic information
- Standard SMILES
CCCCOc1cc2c(cc1C(C)=O)C(C(C)C)=CC(C)(C)O2- InChIKey
TZVRUIZAKRPXGO-UHFFFAOYSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Names & identifiers
- Preferred name
- 1-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-ethanone
- IUPAC
- 1-(7-butoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)ethanone
Names & synonyms
SCHEMBL6278763TZVRUIZAKRPXGO-UHFFFAOYSA-N1-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-ethanone
Database identifiers
- PubChem CID
- 22490969
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
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Related reactions
3 records
Compound notes
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