4-Methoxy-1H-indole
PubChem CID: 138363
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| Compound Synonyms | 4-Methoxyindole, 4837-90-5, 4-Methoxy-1H-indole, 1H-Indole, 4-methoxy-, 1H-Indol-4-yl methyl ether, MFCD00009737, Indole, 4-methoxy-, LUNOXNMCFPFPMO-UHFFFAOYSA-, DTXSID00197500, 4-methoxy-indole, VVP, 1HIndole, 4methoxy, 4-Methoxyindole, 99%, BIDD:GT0568, SCHEMBL321761, 1H-Indol-4-yl methyl ether #, CHEMBL2018155, DTXCID70119991, HMS1632E13, BCP26757, BBL010878, STK648729, AKOS001476143, CS-W008893, FM03091, PB19861, PS-5179, AC-23013, BP-10185, HY-59301, SY001984, DB-006865, M1250, EN300-96752, A827524, A1-00007, 4-Methoxy-indole, 4-Methoxy-1H-indole, 4-Methoxyindole, Z1203730757, 622-799-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | COcccccc6cc[nH]5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-1H-indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H9NO |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | LUNOXNMCFPFPMO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-methoxyindole |
| Esol Class | Soluble |
| Functional Groups | cOC, c[nH]c |
| Compound Name | 4-Methoxy-1H-indole |
| Exact Mass | 147.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.17 |
| 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/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3 |
| Smiles | COC1=CC=CC2=C1C=CN2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/3331681