4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
Basic information
- CAS
166762-97-6- Standard SMILES
COc1ccc(OC/C=C/C#Cc2ccc(O)cc2)cc1- InChIKey
MYCBDFJVVJREPO-DUXPYHPUSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- 4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
- IUPAC
- 4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
Names & synonyms
166762-97-6
Database identifiers
- CAS
166762-97-6- PubChem CID
- 10107705
- Nikkaji
- J650.244J、J707.533B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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