1,8-Dimethoxy-3-methylnaphthalene
PubChem CID: 13661032
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| Compound Synonyms | 1,8-Dimethoxy-3-methylnaphthalene, 22273-57-0, DTXSID70546061, DTXCID20496845 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Naphthalenes and derivatives |
| Deep Smiles | COcccC)ccc6cOC))ccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dimethoxy-3-methylnaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H14O2 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | IWJMQSHUZODASR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,8-di-meo-3-me-naphthalene |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 1,8-Dimethoxy-3-methylnaphthalene |
| Exact Mass | 202.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 202.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H14O2/c1-9-7-10-5-4-6-11(14-2)13(10)12(8-9)15-3/h4-8H,1-3H3 |
| Smiles | CC1=CC2=C(C(=CC=C2)OC)C(=C1)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Ancistrocladus Heyneanus (Plant) Rel Props:Reference:ISBN:9788172360481