2-[[2,5-Dihydroxy-4-[(2-oxocyclooctyl)methyl]phenyl]methyl]cyclooctan-1-one
Basic information
- CAS
66714-90-7- Standard SMILES
O=C1CCCCCCC1Cc1cc(O)c(CC2CCCCCCC2=O)cc1O- InChIKey
SMLOLIDWSYJKHO-UHFFFAOYSA-N- Molecular formula
- C24H34O4
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.24570956
Names & identifiers
- Preferred name
- 2-[[2,5-Dihydroxy-4-[(2-oxocyclooctyl)methyl]phenyl]methyl]cyclooctan-1-one
- IUPAC
- 2-[[2,5-dihydroxy-4-[(2-oxocyclooctyl)methyl]phenyl]methyl]cyclooctan-1-one
Names & synonyms
66714-90-72-[[2,5-dihydroxy-4-[(2-oxocyclooctyl)methyl]phenyl]methyl]cyclooctan-1-oneNSC310834CHEMBL1795593DTXSID60317101NSC-310834DS-0038102,2'-[(2,5-Dihydroxy-1,4-phenylene)bis(methylene)]di(cyclooctan-1-one)
Database identifiers
- CAS
66714-90-7- PubChem CID
- 329288
- DTXSID
DTXSID60317101- ChEMBL
CHEMBL1795593
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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