Basic information
- Standard SMILES
CC(O)c1oc(=O)c2ccccc2c1C1=CCOCC1- InChIKey
RIOJELUCZJRMER-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
Names & identifiers
- Preferred name
- 4-(3,6-Dihydro-2H-pyran-4-yl)-3-(1-hydroxyethyl)-1H-isochromen-1-one
- IUPAC
- 4-(3,6-dihydro-2H-pyran-4-yl)-3-(1-hydroxyethyl)isochromen-1-one
Names & synonyms
SCHEMBL16783433RIOJELUCZJRMER-UHFFFAOYSA-N4-(3,6-Dihydro-2H-pyran-4-yl)-3-(1-hydroxyethyl)-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 118131069
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Related reactions
2 records
Compound notes
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