A 274
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Basic information
- CAS
77273-75-7- Standard SMILES
Oc1ccc(C2c3ccccc3Oc3ccccc32)cc1- InChIKey
OIXOSCRCPTVMFN-UHFFFAOYSA-N- Molecular formula
- C19H14O2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.09937969
Overview
highly aromatic, monosubstituted phenol antioxidant generated during differentiation of neuroblastoma cells; partial structure known
Names & identifiers
- Preferred name
- A 274
- IUPAC
- 4-(9H-xanthen-9-yl)phenol
- English name
- A 274
- Molecular formula
- C19H14O2
- Molecular weight
- 274.31
Names & synonyms
4-(9H-xanthen-9-yl)phenol77273-75-7A 274Phenol, 4-(9H-xanthen-9-yl)-IK6H7J6A2XNSC-256000A-274DTXSID40228004RefChem:108292DTXCID20150495Phenol,4-(9H-xanthen-9-yl)-NSC 256000
Show more names
UNII-IK6H7J6A2X9-(4-hydroxyphenyl)xantheneorb1701392SCHEMBL27512594PHENOL, P-XANTHEN-9-YL-NSC256000AKOS001021898DS-012204
Database identifiers
- CAS
77273-75-7- PubChem CID
- 99896
- DTXSID
DTXSID40228004- UNII
- IK6H7J6A2X
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 410.3 · 410.3±34.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 9.92 · 9.92±0.30(Predicted)
- FDA UNII
- 6 H7J6A2X · IK6H7J6A2X
Chemistry & industry
Applications
UsesA 274 is an amiodarone analogue that has the activity of inhibiting the binding of T3 to α1- and β1-thyroid hormone receptors in vitro. Its IC50 values for inhibition of α1-T3R and β1-T3R are certain values (depending on the specific experimental results).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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