1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-bromophenyl)hydroxymethyl)-3-methyl-
Basic information
- CAS
86560-18-1- Standard SMILES
CC1=C(C(O)c2ccc(Br)cc2)C2(CCCCC2)OC1=O- InChIKey
JUQGHCALPJHCNK-UHFFFAOYSA-N- Molecular formula
- C17H19BrO3
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 350.05176
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-bromophenyl)hydroxymethyl)-3-methyl-
- IUPAC
- 4-[(4-bromophenyl)-hydroxymethyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
- English name
- 4-((4-Bromophenyl)hydroxymethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-on e
- Molecular formula
- C17H19BrO3
- Molecular weight
- 351.23
Names & synonyms
BRN 509088886560-18-14-((4-Bromophenyl)hydroxymethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-bromophenyl)hydroxymethyl)-3-methyl-4-Bromohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]4-Bromohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4RefChem:232766DTXSID3010069234-[(4-BROMOPHENYL)(HYDROXY)METHYL]-3-METHYL-1-OXASPIRO[4.5]DEC-3-EN-2-ONE4-((4-Bromophenyl)hydroxymethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-on e1-Oxaspiro[4.5]dec-3-en-2-one, 4-[(4-bromophenyl)hydroxymethyl]-3-methyl-
Database identifiers
- CAS
86560-18-1- PubChem CID
- 3070533
- DTXSID
DTXSID301006923
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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