3-methyl-9H-carbazol-2-ol
PubChem CID: 3459141
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| Compound Synonyms | 3-methyl-9H-carbazol-2-ol, 24224-30-4, 2-Hydroxy-3-methylcarbazole, 2-Hydroxy-3-methyl-9H-carbazole, CHEMBL1927325, SCHEMBL10241710, 9H-Carbazol-2-ol, 3-methyl-, DTXSID50392684, CHEBI:173544, 3-Methyl-9H-carbazol-2-ol, 9CI, AKOS006282037, FS-9330, DB-339446, H27228, AE-641/11515303 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | Ccccccc6O)))[nH]cc5cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from the roots of Murraya koenigii (curryleaf tree). 2-Hydroxy-3-methyl-9H-carbazole is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 243.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-9H-carbazol-2-ol |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H11NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLOJFAGTWDOURE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.418 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 3.383 |
| Synonyms | 2-Hydroxy-3-methylcarbazole, 3-Methyl-9H-carbazol-2-ol, 9CI, 3-Methyl-9H-carbazol-2-ol, 9ci, 2-hydroxy-3-methylcarbazole |
| Esol Class | Soluble |
| Functional Groups | cO, c[nH]c |
| Compound Name | 3-methyl-9H-carbazol-2-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 197.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.846202733333333 |
| Inchi | InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-7,14-15H,1H3 |
| Smiles | CC1=CC2=C(C=C1O)NC3=CC=CC=C32 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clausena Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Taxus Mairei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all