2-(3-Phenyl-5-isoxazolyl)phenol
Basic information
- CAS
67139-38-2- Standard SMILES
Oc1ccccc1-c1cc(-c2ccccc2)no1- InChIKey
XWLIMTFPYMGWEB-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 2-(3-Phenyl-5-isoxazolyl)phenol
- IUPAC
- 2-(3-phenyl-1,2-oxazol-5-yl)phenol
- English name
- CHEMBRDG-BB 5810970
- Molecular formula
- C15H11NO2
- Molecular weight
- 237.25
Names & synonyms
2-(3-phenyl-5-isoxazolyl)phenol67139-38-22-(3-Phenylisoxazol-5-yl)phenolMLS0005708662-(3-PHENYL-1,2-OXAZOL-5-YL)PHENOLMFCD01820980SMR000187290Cambridge id 5810970CHEMBL1325869SCHEMBL13696743BDBM49532cid_5343445
Show more names
CHEMBRDG-BB 5810970Phenol, 2-(3-phenyl-5-isoxazolyl)-2-(3-phenyl-5-isoxazolyl)phenol(SALTDATA: FREE)
DTXSID60425295cid_21787845HMS2278L16(6Z)-6-(3-phenyl-2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one5-(o-hydroxyphenyl)-3-phenylisoxazoleAKOS022184459CS-0454764AG-205/12755033
Database identifiers
- CAS
67139-38-2- PubChem CID
- 873352
- DTXSID
DTXSID60425295- ChEMBL
CHEMBL1325869
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 231 · 231-233 °C(Solv: ethanol (64-17-5))
- Boiling point
- 429.2 · 429.2±30.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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