1,3-Dimethoxy-5-(2-phenylethenyl)benzene
PubChem CID: 238778
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| Compound Synonyms | 1,3-dimethoxy-5-(2-phenylethenyl)benzene, Benzene, 1,3-dimethoxy-5-(2-phenylethenyl)-, BIYGTLDPTJMNET-UHFFFAOYSA-N, DTXSID201032440, BCP18619, AKOS028109867, DB-022087, A839529, Trans-3,5-Dimethoxystilbene, trans-Pinosylvin dimethyl ether |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-5-(2-phenylethenyl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C16H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIYGTLDPTJMNET-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.868 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.05 |
| Compound Name | 1,3-Dimethoxy-5-(2-phenylethenyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.161105733333333 |
| Inchi | InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients