Tetralin
PubChem CID: 8404
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| Compound Synonyms | 1,2,3,4-Tetrahydronaphthalene, TETRALIN, 119-64-2, Tetrahydronaphthalene, Benzocyclohexane, Bacticin, Naphthalene, 1,2,3,4-tetrahydro-, Tetraline, Tetranap, Tetralina, Naphthalene 1,2,3,4-tetrahydride, tetralene, Caswell No. 842A, CCRIS 3564, HSDB 127, UNII-FT6XMI58YQ, delta(sup 5,7,9)-naphthantriene, FT6XMI58YQ, EINECS 204-340-2, NSC 77451, EPA Pesticide Chemical Code 055901, DTXSID1026118, CHEBI:35008, AI3-01257, TETRALIN [HSDB], TETRALIN [MI], MFCD00001733, NSC-77451, TETRALIN [USP-RS], TETRALIN [WHO-DD], DTXCID306118, Naphthalene, tetrahydro-, .delta.(5,7,9)-Naphthantriene, 1,2,3,4-tetrahydro-naphthalene, EC 204-340-2, Naphthalene-1,2,3,4-tetrahydride, TETRALIN (USP-RS), Tetralina [Polish], CAS-119-64-2, 1,2,3,4-Tetrahydronaphthalene, reagent grade, >=97%, 1,2,3,4-tetrahydronaphthalin, Tetralin solvent, EINECS 270-178-4, TETRAMP, bmse000530, NCIOpen2_000650, 1,3,4-Tetrahydronaphthalene, delta(5,7,9)-Naphthantriene, 1,2,3,4-tetrahydronapthalene, 5,6,7,8-tetrahydronaphthalene, CHEMBL1575635, Naphthalene 1,3,4-tetrahydride, WLN: L66 & TJ, delta(sup 5,7,9)Naphthantriene, Naphthalene 1,2,3,4tetrahydride, Naphthalene, 1,2,3,4tetrahydro, .delta.(sup 5,9)-Naphthantriene, NSC77451, Tox21_201793, Tox21_303325, STL264224, .delta.(sup 5,7,9)-Naphthantriene, AKOS000121383, NCGC00091744-01, NCGC00091744-02, NCGC00256948-01, NCGC00259342-01, DB-300892, NS00008482, T0107, T0713, EN300-21134, 1,2,3,4-Tetrahydronaphthalene, anhydrous, 99%, Q420416, 1,2,3,4-Tetrahydronaphthalene, analytical standard, 1,2,3,4-Tetrahydronaphthalene, ReagentPlus(R), 99%, F1908-0164 |
|---|---|
| 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 | CCCccC6)cccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4-tetrahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCCC2 |
| Inchi Key | CXWXQJXEFPUFDZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,4-tetrahydronaphthalene |
| Esol Class | Soluble |
| Compound Name | Tetralin |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| 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/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 |
| Smiles | C1CCC2=CC=CC=C2C1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840