1,8-Dimethoxynaphthalene
PubChem CID: 3998082
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| Compound Synonyms | 1,8-dimethoxynaphthalene, 10075-66-8, Naphthalene, 1,8-dimethoxy-, MFCD00226962, DTXSID00398459, Naphthalene,1,8-dimethoxy-, SCHEMBL443530, CHEMBL5219020, DTXCID30349318, AKOS006271912, DS-4463, SY270809, DB-058485, CS-0439695, F15627 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dimethoxynaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C12H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRPDMEIIZPOYED-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.668 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.151 |
| Compound Name | 1,8-Dimethoxynaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 188.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3628726285714285 |
| Inchi | InChI=1S/C12H12O2/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10/h3-8H,1-2H3 |
| Smiles | COC1=CC=CC2=C1C(=CC=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients