1-[5-(5-Acetyl-4-hydroxy-2-phenylmethoxyphenyl)sulfonyl-2-hydroxy-4-phenylmethoxyphenyl]ethanone
Basic information
- CAS
56923-34-3- Standard SMILES
CC(=O)c1cc(S(=O)(=O)c2cc(C(C)=O)c(O)cc2OCc2ccccc2)c(OCc2ccccc2)cc1O- InChIKey
RVEBFNYLQGVQQE-UHFFFAOYSA-N- Molecular formula
- C30H26O8S
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.13483896
Names & identifiers
- Preferred name
- 1-[5-(5-Acetyl-4-hydroxy-2-phenylmethoxyphenyl)sulfonyl-2-hydroxy-4-phenylmethoxyphenyl]ethanone
- IUPAC
- 1-[5-(5-acetyl-4-hydroxy-2-phenylmethoxyphenyl)sulfonyl-2-hydroxy-4-phenylmethoxyphenyl]ethanone
Names & synonyms
56923-34-3NSC1782831-[5-(5-acetyl-4-hydroxy-2-phenylmethoxyphenyl)sulfonyl-2-hydroxy-4-phenylmethoxyphenyl]ethanoneDTXSID20306652NSC-1782831,1'-[sulfonylbis[6-hydroxy-4-(phenylmethoxy)-3,1-phenylene]]bis-ethanone1,1'-{Sulfonylbis[4-(benzyloxy)-6-hydroxy-3,1-phenylene]}di(ethan-1-one)
Database identifiers
- CAS
56923-34-3- PubChem CID
- 301402
- DTXSID
DTXSID20306652
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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