5-Methoxyseselin
Basic information
- CAS
31525-76-5- Standard SMILES
COc1cc2c(c3oc(=O)ccc13)C=CC(C)(C)O2- InChIKey
ZNMRQYJUVCXNGK-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
5-Methoxyseselin is a member of coumarins.
Names & identifiers
- Preferred name
- 5-Methoxyseselin
- IUPAC
- 5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
- English name
- 5-Methoxyseselin
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
5-Methoxyseselin31525-76-55-methoxy-8,8-dimethyl-2h,8h-pyrano[2,3-f]chromen-2-oneCHEMBL479894NSC 1553515-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one5-methoxy-8,8-dimethyl-pyrano[2,3-f]chromen-2-one5-Methoxy-8,8-dimethylpyrano[2,3-f]chromen-2(8H)-one5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-oneNSC155351orb1680845SCHEMBL31237832
Show more names
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-
DTXSID80302933CHEBI:174378GBA52576BDBM50008732TN5892AKOS030556620NSC-1553515-methoxy-8,8-dimethylpyrano[2,3-]chromen-2-one
Database identifiers
- CAS
31525-76-5- PubChem CID
- 290897
- DTXSID
DTXSID80302933- ChEMBL
CHEMBL479894- ChEBI
CHEBI:174378- Nikkaji
- J1.068.288F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Melting Point162 - 164 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 154 · 154-156 °C
- Boiling point
- 441.2 · 441.2±45.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses5-Methoxyseselin is a natural product[1].
Additional notes
DefinitionChEBI: 5-Methoxyseselin is a member of coumarins.
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Related reactions
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Compound notes
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