1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxyphenylmethyl)-3-methyl-
Basic information
- CAS
86560-15-8- Standard SMILES
CC1=C(C(O)c2ccccc2)C2(CCCCC2)OC1=O- InChIKey
UPOZLTJRXGZDLP-UHFFFAOYSA-N- Molecular formula
- C17H20O3
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.1412445
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxyphenylmethyl)-3-methyl-
- IUPAC
- 4-[hydroxy(phenyl)methyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Names & synonyms
BRN 50663044-(Hydroxyphenylmethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one86560-15-81-Oxaspiro(4.5)dec-3-en-2-one, 4-(hydroxyphenylmethyl)-3-methyl-Hydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]Hydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4RefChem:232776DTXSID2010069204-[Hydroxy(phenyl)methyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
Database identifiers
- CAS
86560-15-8- PubChem CID
- 3070530
- DTXSID
DTXSID201006920
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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