2-methoxy-3-phenyl-2H-furan-5-one
PubChem CID: 10954333
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C2CCCCC2)C1 |
| Np Classifier Class | Pulvinones |
| Deep Smiles | COCOC=O)C=C5cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Dihydrofurans |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)CO1 |
| Classyfire Subclass | Furanones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-3-phenyl-2H-furan-5-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H10O3 |
| Scaffold Graph Node Bond Level | O=C1C=C(c2ccccc2)CO1 |
| Inchi Key | NIRNITKZYDOQDK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-butenoic-acid-lactone |
| Esol Class | Soluble |
| Functional Groups | cC1=CC(=O)OC1OC |
| Compound Name | 2-methoxy-3-phenyl-2H-furan-5-one |
| Exact Mass | 190.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H10O3/c1-13-11-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-7,11H,1H3 |
| Smiles | COC1C(=CC(=O)O1)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diazotetronic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279