Basic information
- Standard SMILES
CC1(C)Cc2cc(C(=O)CCCCCl)ccc2O1- InChIKey
XFQZIYYKSSUNMC-UHFFFAOYSA-N- Molecular formula
- C15H19ClO2
- Average molar mass
- 266.76 g/mol
- Monoisotopic mass
- 266.1073575
Names & identifiers
- Preferred name
- 5-Chloro-1-(2,3-dihydro-2,2-dimethyl-1-benzofuran-5-yl)pentane-1-one
- IUPAC
- 5-chloro-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-one
Names & synonyms
SCHEMBL4857235XFQZIYYKSSUNMC-UHFFFAOYSA-N5-Chloro-1-(2,3-dihydro-2,2-dimethyl-1-benzofuran-5-yl)pentane-1-one
Database identifiers
- PubChem CID
- 21887548
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
4 records
Compound notes
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