(4-Hydroxyphenyl)[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]methanone
Basic information
- CAS
177744-96-6- Standard SMILES
O=C(c1ccc(O)cc1)c1sc2ccccc2c1-c1ccc(O)cc1- InChIKey
YCHUQIIHHWWHLR-UHFFFAOYSA-N- Molecular formula
- C21H14O3S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.06636548
Names & identifiers
- Preferred name
- (4-Hydroxyphenyl)[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]methanone
- IUPAC
- (4-hydroxyphenyl)-[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]methanone
- English name
- LY 88074
- Molecular formula
- C21H14O4S
- Molecular weight
- 362.39846
Names & synonyms
(4-Hydroxyphenyl)[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]methanoneDTXSID70857947LY 88074LY88074,LY-88074Raloxifene IMpurity DRaloxifene Impurity 32LY88074, 10 mM in DMSORaloxifene Impurity 4(Raloxifene EP Impurity D)(4-hydroxyphenyl)-[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]methanone[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl](4-hydroxyphenyl)MethanoneMethanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl](4-hydroxyphenyl)-
Database identifiers
- CAS
177744-96-6- PubChem CID
- 71749865
- DTXSID
DTXSID70857947
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 135 · 135 - 149°C
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Yellow
Chemistry & industry
Applications
UsesLY 88074 is a selective estrogen receptor modulator (SERM). LY 88074 has potential use in the treatment of estrogen deprivation syndrome.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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