6-Hydroxy-7-methoxy-4-(4'-methoxyphenyl)coumarin
PubChem CID: 91279357
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| Compound Synonyms | 6-hydroxy-7 -methoxy-4-(4'-methoxyphenyl)coumarin |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-7-methoxy-4-(4-methoxyphenyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGFANVFKVOTCIW-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.129 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.951 |
| Compound Name | 6-Hydroxy-7-methoxy-4-(4'-methoxyphenyl)coumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.277004618181818 |
| Inchi | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)12-8-17(19)22-15-9-16(21-2)14(18)7-13(12)15/h3-9,18H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnica Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rubus Rigidus (Plant) Rel Props:Source_db:cmaup_ingredients