1-Ethylnaphthalene
PubChem CID: 14315
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| Compound Synonyms | 1-ETHYLNAPHTHALENE, 1127-76-0, Naphthalene, 1-ethyl-, ETHYLNAPHTHALENE, Naphthalene, ethyl-, .alpha.-Ethylnaphthalene, alpha-Ethylnaphthalene, 1-Ethylnaphtha, Poly(1-vinylnaphthalene), 1-Ethyl-naphthalene, EINECS 214-432-4, P1MIE8TZ19, NSC 59390, MFCD00004049, NSC-59390, 29793-40-6, DTXSID10870852, 27138-19-8, 1-ethyl naphthalene, NSC59390, UNII-P1MIE8TZ19, 1-Ethylnaphthalene, >=97%, BIDD:GT0281, CHEMBL317740, WLN: L66J B2, DTXCID50818536, BCP30943, MFCD00274663, AKOS015912536, CS-W008338, ES-2012, SY051576, DB-019173, E0146, NS00044590, F16030, Q63396539, Naphthalene, 1-ethyl-, Naphthalene, ethyl-, 1-Ethyl-naphthalene, 214-432-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | CCcccccc6cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethylnaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H12 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | ZMXIYERNXPIYFR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-ethylnaphthalene |
| Esol Class | Moderately soluble |
| Compound Name | 1-Ethylnaphthalene |
| Exact Mass | 156.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.22 |
| Gi Absorption | False |
| 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/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3 |
| Smiles | CCC1=CC=CC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201