Basic information
- CAS
117233-19-9- Standard SMILES
COc1cc(C2C(C(C)=O)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC- InChIKey
BNPBTCRKVWFLHV-UHFFFAOYSA-N- Molecular formula
- C22H22O7
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.13655304
Names & identifiers
- Preferred name
- 1-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanone
- IUPAC
- 1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
Names & synonyms
117233-19-9NSC3815911-(6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)ethanoneDTXSID90922343NSC-381591Ethanone, 1-(6-methyl-8-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo(4,5-g)(1)benzopyran-7-yl)-1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-7-yl]ethan-1-one
Database identifiers
- CAS
117233-19-9- PubChem CID
- 147205
- DTXSID
DTXSID90922343- Nikkaji
- J260.029C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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