4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-methoxyphenoxy)-
Basic information
- CAS
137988-15-9- Standard SMILES
COc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1- InChIKey
JVCGXSLOXXMPEV-UHFFFAOYSA-N- Molecular formula
- C18H14O6
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.07903816
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-methoxyphenoxy)-
- IUPAC
- [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] acetate
Names & synonyms
BRN 5449244137988-15-94H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-methoxyphenoxy)-7-(Acetyloxy)-3-(4-methoxyphenoxy)-4H-1-benzopyran-4-oneDTXSID90160440RefChem:297372DTXCID60829313-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl acetate3-(4-Methoxyphenoxy)-4-oxo-4H-1-benzopyran-7-yl acetate3-(4-methoxyphenoxy)-4-oxochromen-7-yl acetateCBMicro_004449Oprea1_258180
Show more names
Oprea1_601475[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] acetateSCHEMBL18550763SMSF0014224SBB081325STK922844AKOS000275952CB06356
Database identifiers
- CAS
137988-15-9- PubChem CID
- 719939
- DTXSID
DTXSID90160440
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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