Basic information
- CAS
914784-11-5- Standard SMILES
CCCCCc1cc(-c2ccc(O)cc2)no1- InChIKey
QEESNZRKQXSXPQ-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 4-(5-Pentyl-1,2-oxazol-3(2H)-ylidene)cyclohexa-2,5-dien-1-one
- IUPAC
- 4-(5-pentyl-1,2-oxazol-3-yl)phenol
Names & synonyms
914784-11-54-(5-Pentyl-1,2-oxazol-3(2H)-ylidene)cyclohexa-2,5-dien-1-oneSCHEMBL18031148DTXSID508476043-(4-hydroxyphenyl)-5-amylisoxazole
Database identifiers
- CAS
914784-11-5- PubChem CID
- 136236752
- DTXSID
DTXSID50847604
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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