1-Methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID: 582638
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| Compound Synonyms | 71735-16-5, EINECS 275-927-9, 1,2,3,4-Tetrahydromethoxynaphthalene, 1-Methoxy-1,2,3,4-tetrahydronaphthalene, methoxytetralin, SCHEMBL2472307, DTXSID60992351, 1-Methoxy-1,2,3,4-tetrahydronaphthalene #, NS00063435, Naphthalene, 1,2,3,4-tetrahydro-1-methoxy-, Naphthalene,1,2,3,4-tetrahydromethoxy-(9ci) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | COCCCCcc6cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-1,2,3,4-tetrahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCCC2 |
| Inchi Key | IBRIMMDNSPFZMB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,2,3,4-tertahydro-1-methoxy-napthalene, 1,2,3,4-tetrahydro-1-methoxy- naphthalene, 1,2,3,4-tetrahydro-1-methoxy-naphthalene |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | 1-Methoxy-1,2,3,4-tetrahydronaphthalene |
| Exact Mass | 162.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 162.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3 |
| Smiles | COC1CCCC2=CC=CC=C12 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965