Basic information
- CAS
86535-72-0- Standard SMILES
O=C(C#Cc1ccccc1)C1=Cc2ccccc2OC1- InChIKey
ZYFJCSFYKVNKSF-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Names & identifiers
- Preferred name
- 1-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-one
- IUPAC
- 1-(2H-chromen-3-yl)-3-phenylprop-2-yn-1-one
Names & synonyms
86535-72-01-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-oneNSC334717CHEMBL1978397DTXSID20318750NSC-334717NCI60_0029311-(2H-1-Benzopyran-3-yl)-3-phenylprop-2-yn-1-one2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-
Database identifiers
- CAS
86535-72-0- PubChem CID
- 333501
- DTXSID
DTXSID20318750- ChEMBL
CHEMBL1978397
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…