tert-Butylanisole
PubChem CID: 270626
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| Compound Synonyms | tert-Butylanisole, 1-tert-butyl-2-methoxybenzene, 2944-48-1, 1-(tert-Butyl)-2-methoxybenzene, 36731-23-4, 2-t-butylanisole, 2-tert-butylanisol, 2-t-butyl anisole, NSC113126, 2-(t-butyl)anisole, o-(tert-Butyl)anisole, SCHEMBL142899, 1-tert-Butyl-2-methoxy-benzene, DTXSID40190191, EINECS 253-174-7, Benzene,1-dimethylethyl)-2-methoxy-, MFCD15527518, AKOS014094170, NSC-113126, DS-009957, CS-0210371, NS00030083, G11596, BENZENE,1-(1,1-DIMETHYLETHYL)-2-METHOXY-, InChI=1/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | COcccccc6CC)C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-tert-butyl-2-methoxybenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H16O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | YIQUTYFGUKCQCY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | tert-butylanisole |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | tert-Butylanisole |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| 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/C11H16O/c1-11(2,3)9-7-5-6-8-10(9)12-4/h5-8H,1-4H3 |
| Smiles | CC(C)(C)C1=CC=CC=C1OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Plectranthus Amboinicus (Plant) Rel Props:Reference:ISBN:9788185042138