1-Penten-4-yn-3-ol, 1-phenyl-
Basic information
- CAS
31450-17-6- Standard SMILES
C#CC(O)/C=C/c1ccccc1- InChIKey
FZGJGBSLOXLHAL-CMDGGOBGSA-N- Molecular formula
- C11H10O
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.07316494
Names & identifiers
- Preferred name
- 1-Penten-4-yn-3-ol, 1-phenyl-
- IUPAC
- (E)-1-phenylpent-1-en-4-yn-3-ol
Names & synonyms
(1E)-1-Phenyl-1-penten-4-yn-3-ol1-Penten-4-yn-3-ol, 1-phenyl-(1E)-1-phenylpent-1-en-4-yn-3-olSCHEMBL11197058FZGJGBSLOXLHAL-CMDGGOBGSA-NDTXSID001301388(E)-1-phenyl-pent-1-en-4-yn-3-ol31450-17-6(1E)-1-Phenyl-1-penten-4-yn-3-ol #
Database identifiers
- CAS
31450-17-6- PubChem CID
- 5369751
- DTXSID
DTXSID001301388- Nikkaji
- J1.635.566F、J754.892C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
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Related reactions
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Compound notes
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