Basic information
- Standard SMILES
C=C(Cl)COc1ccc2c(C)cc(=O)oc2c1- InChIKey
RWSOGXRLIXDZFL-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3
- Average molar mass
- 250.68 g/mol
Names & identifiers
- Preferred name
- 7-(beta-Chloroallyloxy)-4-methylcoumarin
- IUPAC
- 7-(2-chloroprop-2-enoxy)-4-methylchromen-2-one
Names & synonyms
MLS000112265SCHEMBL6806005CHEMBL1492865RWSOGXRLIXDZFL-UHFFFAOYSA-NHMS2488G11AKOS0087164227-(beta-chloroallyloxy)-4-methylcoumarinSMR000108179SR-01000242785SR-01000242785-17-[(2-chloro-2-propen-1-yl)oxy]-4-methyl-2H-chromen-2-one
Database identifiers
- PubChem CID
- 1121591
- ChEMBL
CHEMBL1492865
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
9 records
Compound notes
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