3-Methoxy-5-(6-methoxy-1-benzofuran-2-yl)phenol
PubChem CID: 5315210
Connections displayed (default: 10).
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| Topological Polar Surface Area | 51.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-5-(6-methoxy-1-benzofuran-2-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHISEFXYZISKFW-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.909 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.384 |
| Compound Name | 3-Methoxy-5-(6-methoxy-1-benzofuran-2-yl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.121860799999999 |
| Inchi | InChI=1S/C16H14O4/c1-18-13-4-3-10-7-15(20-16(10)9-13)11-5-12(17)8-14(6-11)19-2/h3-9,17H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C=C(O2)C3=CC(=CC(=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Vigna Unguiculata (Plant) Rel Props:Source_db:cmaup_ingredients