2H-Furo(2,3-h)-1-benzopyran-2-one, 5-methoxy-6-((3-methyl-2-butenyl)oxy)-
PubChem CID: 3084412
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| Compound Synonyms | 24099-29-4, 6-Isopentenyloxyisobergapten, 2H-Furo(2,3-h)-1-benzopyran-2-one, 5-methoxy-6-((3-methyl-2-butenyl)oxy)-, 5-methoxy-6-(3-methylbut-2-enoxy)furo[2,3-h]chromen-2-one, DTXSID50178824, 5-Methoxy-6-((3-methylbut-2-en-1-yl)oxy)-2H-furo[2,3-h]chromen-2-one |
|---|---|
| Topological Polar Surface Area | 57.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-6-(3-methylbut-2-enoxy)furo[2,3-h]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYROBYWPUVLPTM-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.607 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.381 |
| Compound Name | 2H-Furo(2,3-h)-1-benzopyran-2-one, 5-methoxy-6-((3-methyl-2-butenyl)oxy)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1729947272727275 |
| Inchi | InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15(19-3)11-4-5-13(18)22-14(11)12-7-9-20-16(12)17/h4-7,9H,8H2,1-3H3 |
| Smiles | CC(=CCOC1=C(C2=C(C3=C1OC=C3)OC(=O)C=C2)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heracleum Yungningense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients