Basic information
- CAS
51559-33-2- Standard SMILES
CC1=CC(C/C(C)=C/COc2ccc3ccc(=O)oc3c2)OC1=O- InChIKey
CFNMUZCFSDMZPQ-KPKJPENVSA-N- Molecular formula
- C19H18O5
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11542367
Overview
Capnolactone has been reported in Clausena excavata with data available.
Names & identifiers
- Preferred name
- Coumarin deriv
- IUPAC
- 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
Names & synonyms
COUMARIN DERIVCapnolactone51559-33-27-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-oneNSC 356887NSC35688753771-63-42H-1-Benzopyran-2-one, 7-(((2E)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-butenyl)oxy)-2H-1-Benzopyran-2-one, 7-[[(2E)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-butenyl]oxy]-MLS000863578MEGxp0_000087orb1991977
Show more names
CHEMBL1348986ACon1_000164HMS2269F11AKOS040734774NSC-356887NCGC00180819-01SMR000440763T124692
Database identifiers
- CAS
51559-33-2- PubChem CID
- 5776876
- ChEMBL
CHEMBL1348986
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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