Basic information
- Standard SMILES
COc1ccc(-c2cccc3c2CCC3=O)c(OCC2(CO)COC2)c1OC- InChIKey
UXRFMOLTSCDPTA-UHFFFAOYSA-N- Molecular formula
- C22H24O6
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-(3-Hydroxymethyl-oxetan-3-ylmethoxy)-3,4-dimethoxy-phenyl]-indan-1-one
- IUPAC
- 4-[2-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-3,4-dimethoxyphenyl]-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL2584130UXRFMOLTSCDPTA-UHFFFAOYSA-N4-(2-((3-(hydroxymethyl)oxetan-3-yl)methoxy)-3,4-dimethoxyphenyl)-indan-1-one4-[2-(3-Hydroxymethyl-oxetan-3-ylmethoxy)-3,4-dimethoxy-phenyl]-indan-1-one
Database identifiers
- PubChem CID
- 54576296
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
Related reactions
3 records
Compound notes
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