Basic information
- CAS
3457-13-4- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1- InChIKey
POLSVAXEEHDBMJ-UHFFFAOYSA-N- Molecular formula
- C31H46O3
- Average molar mass
- 466.7 g/mol
- Monoisotopic mass
- 466.34469533
Names & identifiers
- Preferred name
- 2-Hydroxy-4-(octadecyloxy)benzophenone
- IUPAC
- (2-hydroxy-4-octadecoxyphenyl)-phenylmethanone
- English name
- (2-Hydroxy-4-octadecyloxy-phenyl)-phenyl-methanone
- Molecular formula
- C31H46O3
- Molecular weight
- 466.7
Names & synonyms
3457-13-42-Hydroxy-4-(octadecyloxy)benzophenone(2-Hydroxy-4-(octadecyloxy)phenyl)(phenyl)methanone[2-Hydroxy-4-(octadecyloxy)phenyl](phenyl)methanoneEINECS 222-385-6Benzophenone, 2-hydroxy-4-octadecyloxy-SCHEMBL106588SCHEMBL29365029DTXSID40188114POLSVAXEEHDBMJ-UHFFFAOYSA-NAKOS015961918AC-15276
Show more names
(2-hydroxy-4-octadecoxyphenyl)-phenylmethanone(2-hydroxy-4-stearyloxy-phenyl)-phenyl-methanone(2-hydroxy-4-octadecoxy-phenyl)-phenyl-methanone(2-Hydroxy-4-octadecyloxy-phenyl)-phenyl-methanone
2-hydroxy-4-octadecyloxyphenyl phenyl ketoneNS00029685ST50982506
Database identifiers
- CAS
3457-13-4- PubChem CID
- 76994
- DTXSID
DTXSID40188114- EC Number
- 222-385-6
- Nikkaji
- J216.130C
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 55 · 55–56°C
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of stearyl chloride (octadecyl chloride or 1-chlorooctadecane) with resbenzophenone in the presence of sodium hydroxide and phosphorous triiodide in aqueous diethylene glycol at 175° for 1.5 h (94%).
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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