6-Benzoxazoleethanol, beta-methyl-2-phenyl-
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Basic information
- CAS
51234-54-9- Standard SMILES
CC(CO)c1ccc2nc(-c3ccccc3)oc2c1- InChIKey
SQNDMDKKUAMDFF-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- 6-Benzoxazoleethanol, beta-methyl-2-phenyl-
- IUPAC
- 2-(2-phenyl-1,3-benzoxazol-6-yl)propan-1-ol
- English name
- β-Methyl-2-phenyl-6-benzoxazoleethanol
- Molecular formula
- C16H15NO2
- Molecular weight
- 253.3
Names & synonyms
51234-54-96-BENZOXAZOLEETHANOL, beta-METHYL-2-PHENYL-RefChem:1073821beta-Methyl-2-phenyl-6-benzoxazoleethanolBRN 11268732-(2-phenyl-1,3-benzoxazol-6-yl)propan-1-olCHEMBL3246580DTXSID10965510SQNDMDKKUAMDFF-UHFFFAOYSA-N2-(2-phenyl-6-benzoxazolyl)-propanolβ-Methyl-2-phenyl-6-benzoxazoleethanol6-Benzoxazoleethanol, β-methyl-2-phenyl-
Database identifiers
- CAS
51234-54-9- PubChem CID
- 39949
- DTXSID
DTXSID10965510- ChEMBL
CHEMBL3246580- Nikkaji
- J67.911I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
5 records
Compound notes
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