Basic information
- Standard SMILES
CC(O)c1oc(=O)c2ccccc2c1-c1cccc(C=CCN(C)C)c1- InChIKey
VFELBZSHIXUMCB-UHFFFAOYSA-N- Molecular formula
- C22H23NO3
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-(3-(dimethylamino)prop-1-en-1-yl)phenyl)-3-(1-hydroxyethyl)-1H-isochromen-1-one
- IUPAC
- 4-[3-[3-(dimethylamino)prop-1-enyl]phenyl]-3-(1-hydroxyethyl)isochromen-1-one
Names & synonyms
SCHEMBL16783749VFELBZSHIXUMCB-UHFFFAOYSA-N4-(3-(3-(dimethylamino)prop-1-en-1-yl)phenyl)-3-(1-hydroxyethyl)-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 123722269
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Related reactions
1 records
Compound notes
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