1-(4-Isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone
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Basic information
- Standard SMILES
COc1cc2c(cc1C(C)=O)C(C(C)C)=CC(C)(C)O2- InChIKey
CHTKCMLVUQTUME-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- 1-(4-Isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone
- IUPAC
- 1-(7-methoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)ethanone
Names & synonyms
SCHEMBL6278672CHTKCMLVUQTUME-UHFFFAOYSA-N1-(4-Isopropyl-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone
Database identifiers
- PubChem CID
- 22490847
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Related reactions
4 records
Compound notes
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