Basic information
- Standard SMILES
COc1ccc2c(c1)CC(CCO)C2=O- InChIKey
XMLZTIUTGQXARB-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethyl)-5-methoxy-1-indanone
- IUPAC
- 2-(2-hydroxyethyl)-5-methoxy-2,3-dihydroinden-1-one
Names & synonyms
2-(2-hydroxyethyl)-5-methoxy-1-indanoneSCHEMBL2419258XMLZTIUTGQXARB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21990856
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
3 records
Compound notes
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