4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
PubChem CID: 5316872
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| Compound Synonyms | 84294-87-1, 6,7-Dimethoxy-2-phenethylchromone, 6,7-Dimethoxy-2-phenethyl-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-, 6,7-DIMETHOXY-2-(2-PHENYLETHYL)CHROMEN-4-ONE, 6,7-dimethoxy-2-(2-phenylethyl)chromone, 6,7-Dimethoxy-2-(2-phenylethyl) chromone, CHEMBL4473302, DTXSID00415711, MVQOWXHYPYRBOE-UHFFFAOYSA-N, HY-N8123, AKOS027326404, FS-7244, DA-49905, 6,7-DIMETHOXY-2-PHENETHYL CHROMONE, CS-0140169, E87111, Q63409782 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVQOWXHYPYRBOE-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.793 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.372 |
| Compound Name | 4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7885464086956526 |
| Inchi | InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=O)C=C(O2)CCC3=CC=CC=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients