Basic information
- Standard SMILES
CC#COc1ccc2oc3ccccc3c(=O)c2c1- InChIKey
DUWHJXTZTLXFSL-UHFFFAOYSA-N- Molecular formula
- C16H10O3
- Average molar mass
- 250.25 g/mol
Names & identifiers
- Preferred name
- 2-Propynyloxyxanthen-9-one
- IUPAC
- 2-prop-1-ynoxyxanthen-9-one
Names & synonyms
2-propynyloxyxanthen-9-oneSCHEMBL7046750DUWHJXTZTLXFSL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 69970004
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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