3,5-Dimethoxybiphenyl
PubChem CID: 11469945
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| Compound Synonyms | 3,5-dimethoxybiphenyl, 64326-17-6, 1,3-DIMETHOXY-5-PHENYLBENZENE, 3,5-Dimethoxy-1,1'-biphenyl, DTXSID10466895, 35-Dimethoxybiphenyl, CHEMBL496247, SCHEMBL2407878, DTXCID40417714, EN300-249334, G55030, Z2768165537 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35610, n.a. |
| Iupac Name | 1,3-dimethoxy-5-phenylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C14H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQWCDYBZNSNECQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.87 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.695 |
| Compound Name | 3,5-Dimethoxybiphenyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1084368 |
| Inchi | InChI=1S/C14H14O2/c1-15-13-8-12(9-14(10-13)16-2)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)C2=CC=CC=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all