Basic information
- Standard SMILES
CCC(=O)CCC1(CCO)Cc2cc(OC)ccc2C1=O- InChIKey
VJSWTOCVNFLGAE-UHFFFAOYSA-N- Molecular formula
- C17H22O4
- Average molar mass
- 290.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethyl)-5-methoxy-2-(3-oxopentyl)-1-indanone
- IUPAC
- 2-(2-hydroxyethyl)-5-methoxy-2-(3-oxopentyl)-3H-inden-1-one
Names & synonyms
SCHEMBL2422175VJSWTOCVNFLGAE-UHFFFAOYSA-N2-(2-hydroxyethyl)-5-methoxy-2-(3-oxopentyl)-1-indanone
Database identifiers
- PubChem CID
- 21990937
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
3 records
Compound notes
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