4-Decyloxy-2-hydroxyphenyl-4-decyloxyphenylketone
Basic information
- CAS
6285-34-3- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCCCCC)cc2O)cc1- InChIKey
JQKWGPZNJCEJDY-UHFFFAOYSA-N- Molecular formula
- C33H50O4
- Average molar mass
- 510.7 g/mol
- Monoisotopic mass
- 510.37091007
Names & identifiers
- Preferred name
- 4-Decyloxy-2-hydroxyphenyl-4-decyloxyphenylketone
- IUPAC
- (4-decoxy-2-hydroxyphenyl)-(4-decoxyphenyl)methanone
- English name
- 4-Decyloxy-2-hydroxyphenyl(4-decyloxyphenyl) ketone
- Molecular formula
- C33H50O4
- Molecular weight
- 510.75
Names & synonyms
KETONE, 4-DECYLOXY-2-HYDROXYPHENYL 4-DECYLOXYPHENYL6285-34-3IDU8KB1DJPNSC 5500UNII-IDU8KB1DJPNSC-5500DTXSID00212020Methanone, (4-(decyloxy)-2-hydroxyphenyl)(4-(decyloxy)phenyl)-4-Decyloxy-2-hydroxyphenyl-4-decyloxyphenylketoneMethanone, [4-(decyloxy)-2-hydroxyphenyl][4-(decyloxy)phenyl]-RefChem:198660DTXCID00134511
Show more names
4-Decyloxy-2-hydroxyphenyl(4-decyloxyphenyl) ketone
Methanone, (4-(decyloxy)-2-hydroxyphenyl)(4-(decyloxy)phenyl)-(9CI)NSC5500WLN: 10OR DVR BQ DO10Benzophenone, 4,4'-didecyloxy-2-hydroxy-[4-(Decyloxy)-2-hydroxyphenyl][4-(decyloxy)phenyl]methanone
Database identifiers
- CAS
6285-34-3- PubChem CID
- 22699
- DTXSID
DTXSID00212020- UNII
- IDU8KB1DJP
- Nikkaji
- J41.544H
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 557.79 °C · 557.79°C (rough estimate)
- Density
- 0.9658 · 0.9658 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- FDA UNII
- 8 KB1DJP · IDU8KB1DJP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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