Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-
PubChem CID: 10538117
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| Compound Synonyms | Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-, 3,5-dimethoxybibenzyl, 78916-50-4, 1,3-DIMETHOXY-5-(2-PHENYLETHYL)BENZENE, 3,5-Dimethoxybibenzyl (8), SCHEMBL1972535, CHEMBL5416520, DTXSID70441466, CHEBI:195309, BDBM246490 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-5-(2-phenylethyl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C16H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBHUJCQHJCTMDJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.084 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.074 |
| Compound Name | Benzene, 1,3-dimethoxy-5-(2-phenylethyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.076104933333333 |
| Inchi | InChI=1S/C16H18O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)CCC2=CC=CC=C2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients