1-Methoxynaphthalene
PubChem CID: 16668
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| Compound Synonyms | 1-METHOXYNAPHTHALENE, 2216-69-5, Naphthalene, 1-methoxy-, Methyl 1-naphthyl ether, Methoxynaphthalene, .alpha.-Methoxynaphthalene, alpha-Methoxynaphthalene, alpha-Naphthyl methyl ether, NSC 5530, .alpha.-Naphthyl methyl ether, 1-Naphthol methyl ether, 1-Naphthyl methyl ether, UNII-DG2EOL57LF, DG2EOL57LF, EINECS 218-696-1, AI3-02144, NSC-5530, MFCD00003924, 57982-68-0, METHOXYNAPHTHALENE, 1-, DTXSID5062263, 1-methoxy naphthalene, Naphthalene, methoxy-, 1-Methoxynapthalene, 1-methoxy-naphthalene, SCHEMBL151449, 1-Methoxynaphthalene, >=98%, SCHEMBL3504381, DTXCID6036625, SCHEMBL10251245, NSC5530, BCP30167, AKOS003632549, CS-W013284, DS-3387, HY-W012568, 1-Methoxynaphthalene, analytical standard, AC-23677, PD158288, DB-019236, DB-265355, M0116, NS00021865, EN300-16125, O10418, 1-Naphthol methyl ether, Naphthalene, 1-methoxy-, Q27276378 |
|---|---|
| Ghose Rule | False |
| 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 |
| Np Classifier Class | Naphthalenes and derivatives |
| Deep Smiles | COcccccc6cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Naphthalenes |
| 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-methoxynaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H10O |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-methoxynaphthalene |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 1-Methoxynaphthalene |
| Exact Mass | 158.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.2 |
| 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/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| Smiles | COC1=CC=CC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Polyketides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995 - 2. Outgoing r'ship
FOUND_INto/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995 - 3. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995