Basic information
- Standard SMILES
CC(C)(Cc1ccccc1)OC(=O)CC(O)CC(O)CCl- InChIKey
GVWXUODOHNJXBS-UHFFFAOYSA-N- Molecular formula
- C16H23ClO4
- Average molar mass
- 314.8 g/mol
Names & identifiers
- Preferred name
- (2-Methyl-1-phenylpropan-2-yl) 6-chloro-3,5-dihydroxyhexanoate
- IUPAC
- (2-methyl-1-phenylpropan-2-yl) 6-chloro-3,5-dihydroxyhexanoate
Names & synonyms
SCHEMBL8512206
Database identifiers
- PubChem CID
- 67607451
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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