Alpinoid D
PubChem CID: 38363343
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| Compound Synonyms | Alpinoid D, 1041740-13-9, 2-methoxy-4-[[5-(2-phenylethyl)furan-2-yl]methyl]phenol, 2-methoxy-4-((5-(2-phenylethyl)furan-2-yl)methyl)phenol, 2-methoxy-4-{[5-(2-phenylethyl)furan-2-yl]methyl}phenol, HY-N10890, AKOS040736411, FS-7902, DA-50360, CS-0637326 |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[[5-(2-phenylethyl)furan-2-yl]methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQYPVFASDPWNIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.366 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.053 |
| Compound Name | Alpinoid D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9331939217391305 |
| Inchi | InChI=1S/C20H20O3/c1-22-20-14-16(8-12-19(20)21)13-18-11-10-17(23-18)9-7-15-5-3-2-4-6-15/h2-6,8,10-12,14,21H,7,9,13H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)CC2=CC=C(O2)CCC3=CC=CC=C3)O |
| Nring | 11.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients