1-(8-Chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene-6-yl)-propan-1-one
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Basic information
- Standard SMILES
CCC(=O)c1cc2c(c(Cl)c1OC(C)C)OC(C)(C)C=C2C(C)C- InChIKey
KAODDXIWPNTLQH-UHFFFAOYSA-N- Molecular formula
- C20H27ClO3
- Average molar mass
- 350.9 g/mol
Names & identifiers
- Preferred name
- 1-(8-Chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene-6-yl)-propan-1-one
- IUPAC
- 1-(8-chloro-2,2-dimethyl-4-propan-2-yl-7-propan-2-yloxychromen-6-yl)propan-1-one
Names & synonyms
SCHEMBL6283086KAODDXIWPNTLQH-UHFFFAOYSA-N1-(8-Chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene-6-yl)-propan-1-one1-(8-Chloro-7-isopropoxy-4-isopropyl-2,2-dimethyl-2H-chromene-6-yl]propan-1-one
Database identifiers
- PubChem CID
- 22490767
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
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Related reactions
2 records
Compound notes
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