4-Hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
Basic information
- Standard SMILES
CC(C)C1(CCc2ccccc2CO)CC(O)=CC(=O)O1- InChIKey
UMQHKIDUODFMPQ-UHFFFAOYSA-N- Molecular formula
- C17H22O4
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
- IUPAC
- 4-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-6-one
Names & synonyms
SCHEMBL6296495UMQHKIDUODFMPQ-UHFFFAOYSA-N4-hydroxy-6-[2-(2-hydroxymethyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
Database identifiers
- PubChem CID
- 69734665
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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