4-[2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]prop-2-enyl]phenol
PubChem CID: 13834124
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]prop-2-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C19H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKXBXYXVNGUVCT-SNAWJCMRSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.644 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.617 |
| Compound Name | 4-[2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]prop-2-enyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.136132542857142 |
| Inchi | InChI=1S/C19H20O2/c1-4-5-15-8-11-19(21-3)18(13-15)14(2)12-16-6-9-17(20)10-7-16/h4-11,13,20H,2,12H2,1,3H3/b5-4+ |
| Smiles | C/C=C/C1=CC(=C(C=C1)OC)C(=C)CC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients