Basic information
- CAS
61555-22-4- Standard SMILES
OC1CCC2(CC1)Cc1ccccc1C2O- InChIKey
QBGBOWNMLLAMLX-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1',3'-Dihydrospiro[cyclohexane-1,2'-indene]-1',4-diol
- IUPAC
- spiro[1,3-dihydroindene-2,4'-cyclohexane]-1,1'-diol
Names & synonyms
61555-22-4NSC278570CHEMBL32760611',3'-Dihydrospiro[cyclohexane-1,2'-indene]-1',4-diolDTXSID20313927NSC-278570
Database identifiers
- CAS
61555-22-4- PubChem CID
- 322237
- DTXSID
DTXSID20313927- ChEMBL
CHEMBL3276061
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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