Basic information
- Standard SMILES
C/C(C#Cc1ccccc1)=C\CO- InChIKey
XBHMBLBHRSJQCB-PKNBQFBNSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- (E)-3-methyl-5-phenyl-pent-2-en-4-yn-1-ol
- IUPAC
- (E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
Names & synonyms
(E)-3-methyl-5-phenyl-pent-2-en-4-yn-1-olSCHEMBL5480902XBHMBLBHRSJQCB-PKNBQFBNSA-N
Database identifiers
- PubChem CID
- 10797282
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
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