Basic information
- Standard SMILES
O=C1C=C(O)CC(CCc2ccc(O)cc2)(C2CCCC2)O1- InChIKey
HMLRTGISDFGQMN-UHFFFAOYSA-N- Molecular formula
- C18H22O4
- Average molar mass
- 302.4 g/mol
Names & identifiers
- Preferred name
- 2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
- IUPAC
- 2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
Names & synonyms
SCHEMBL5880929
Database identifiers
- PubChem CID
- 54720331
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
8 records
Compound notes
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