Basic information
- Standard SMILES
OC1CC2(CCC2)Oc2ccc(Cl)cc21- InChIKey
ZVISSICMFSKJHC-UHFFFAOYSA-N- Molecular formula
- C12H13ClO2
- Average molar mass
- 224.68 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-3,4-dihydro-4-hydroxy-spiro[2H-1-benzopyran-2,1'-cyclobutane]
- IUPAC
- 6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
Names & synonyms
SCHEMBL620006ZVISSICMFSKJHC-UHFFFAOYSA-N6-Chloro-3,4-dihydro-4-hydroxy-spiro[2H-1-benzopyran-2,1'-cyclobutane]
Database identifiers
- PubChem CID
- 66746366
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
4 records
Compound notes
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