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6-Methoxy-7-(3-methylbut-2-enoxy)chromen-2-one

PubChem CID: 1764914

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Compound Synonyms 7-O-Prenylscopoletin, 13544-37-1, Prenyletin methyl ether, 6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one, 6-Methoxy-7-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one, 6-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one, CHEMBL594886, MEGxp0_000887, ACon1_000470, PRENYLETIN 6-METHYL ETHER, 6- Methoxy- 7- prenyloxycoumarin, STL565981, AKOS030500668, FS-7865, XP163686, 7-(3',3'-dimethylallyloxy)-6-methoxycoumarin, BRD-K67811562-001-01-3, 2H-1-Benzopyran-2-one, 6-methoxy-7-[(3-methyl-2-butenyl)oxy]-, 6-METHOXY-7-[(3-METHYLBUT-2-EN-1-YL)OXY]CHROMEN-2-ONE
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 382.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
Prediction Hob 1.0
Xlogp 3.4
Molecular Formula C15H16O4
Prediction Swissadme 1.0
Inchi Key ZLPLFUBVEZVYDX-UHFFFAOYSA-N
Fcsp3 0.2666666666666666
Logs -3.927
Rotatable Bond Count 4.0
Logd 3.019
Compound Name 6-Methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
Prediction Hob Swissadme 1.0
Exact Mass 260.105
Formal Charge 0.0
Monoisotopic Mass 260.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 260.279
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.625065484210526
Inchi InChI=1S/C15H16O4/c1-10(2)6-7-18-14-9-12-11(8-13(14)17-3)4-5-15(16)19-12/h4-6,8-9H,7H2,1-3H3
Smiles CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)C
Nring 2.0
Defined Bond Stereocenter Count 0.0