1,4-Dimethoxy-2-(3-methylbut-2-enyl)naphthalene
PubChem CID: 23427088
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL490375 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethoxy-2-(3-methylbut-2-enyl)naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C17H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FODZPELOGMVDSF-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -6.02 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.122 |
| Compound Name | 1,4-Dimethoxy-2-(3-methylbut-2-enyl)naphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.730012684210526 |
| Inchi | InChI=1S/C17H20O2/c1-12(2)9-10-13-11-16(18-3)14-7-5-6-8-15(14)17(13)19-4/h5-9,11H,10H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=CC=CC=C2C(=C1)OC)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicentra Formosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhynchosia Rufescens (Plant) Rel Props:Source_db:npass_chem_all