Basic information
- Standard SMILES
CC(CO)c1ccc2c(c1)C=Cc1ccccc1C21OCCO1- InChIKey
DLIOSOOLQOLBFP-UHFFFAOYSA-N- Molecular formula
- C20H20O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.1412445
Names & identifiers
- Preferred name
- 2-(5,5-ethylenedioxy-5H-dibenzo[a,d]cyclohepten-2-yl)propan-1-ol
- IUPAC
- 2-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-6'-ylpropan-1-ol
Names & synonyms
SCHEMBL11712285DLIOSOOLQOLBFP-UHFFFAOYSA-N2-(5,5-ethylenedioxy-5H-dibenzo[a,d]cyclohepten-2-yl)propan-1-ol
Database identifiers
- PubChem CID
- 21450001
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
3 records
Compound notes
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