Basic information
- CAS
54903-20-7- Standard SMILES
O=c1[nH]c2ccc(C(O)Cc3ccccc3)cc2o1- InChIKey
SSBIJZOALSHAIT-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 6-(1-hydroxy-2-phenylethyl)-
- IUPAC
- 6-(1-hydroxy-2-phenylethyl)-3H-1,3-benzoxazol-2-one
- English name
- 6-(1-Hydroxy-2-phenylethyl)benzoxazol-2(3H)-one
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
54903-20-72-BENZOXAZOLINONE, 6-(1-HYDROXY-2-PHENYLETHYL)-RefChem:1062373BRN 08025792(3H)-Benzoxazolone, 6-(1-hydroxy-2-phenylethyl)-6-(1-Hydroxy-2-phenylethyl)-2-benzoxazolinone6-(1-Hydroxy-2-phenylethyl)benzoxazol-2(3H)-oneDTXSID80970237DB-3501156-(1-Hydroxy-2-phenylethyl)-1,3-benzoxazol-2-ol
Database identifiers
- CAS
54903-20-7- PubChem CID
- 41230
- DTXSID
DTXSID80970237- Nikkaji
- J65.954A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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