Basic information
- CAS
63187-30-4- Standard SMILES
CC(C)=CCc1c(OCC(O)C(C)(C)O)ccc2ccc(=O)oc12- InChIKey
WCRIXDCUKSRGRM-UHFFFAOYSA-N- Molecular formula
- C19H24O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.16237386
Names & identifiers
- Preferred name
- Myrsellinol
- IUPAC
- 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-enyl)chromen-2-one
Names & synonyms
Myrsellinol63187-30-42H-1-Benzopyran-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-butenyl)-RefChem:160491DTXSID409791857-(2,3-Dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
63187-30-4- PubChem CID
- 188481
- DTXSID
DTXSID40979185
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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