7-Methoxy-1-indanone
PubChem CID: 288143
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| Compound Synonyms | 7-Methoxy-1-indanone, 34985-41-6, 7-Methoxy-2,3-dihydro-1H-inden-1-one, 7-methoxy-2,3-dihydroinden-1-one, 7-methoxyindan-1-one, MFCD07784339, 7-METHOXY-INDAN-1-ONE, DTXSID40302111, 2,3-DIHYDRO-7-METHOXYINDEN-1-ONE, 1H-Inden-1-one, 2,3-dihydro-7-methoxy-, 7-Methoxy-1-indanone 97, 7-methoxyindanone, NSC148876, SCHEMBL266254, 7-Methoxy-1-indanone, 97%, DTXCID90253245, 7-methoxy-2,3-dihydro-inden-1-one, CL3508, AKOS015851910, AB42918, CS-W013258, FS-3478, NSC-148876, AC-23408, SY005012, DB-017463, M3126, EN300-104379, 625-835-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC12 |
| Deep Smiles | COcccccc6C=O)CC5 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Indanes |
| Scaffold Graph Node Level | OC1CCC2CCCCC12 |
| Classyfire Subclass | Indanones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-2,3-dihydroinden-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O2 |
| Scaffold Graph Node Bond Level | O=C1CCc2ccccc21 |
| Inchi Key | CZXBVBATQPHSSL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 7-methoxy-1-indanone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | 7-Methoxy-1-indanone |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| 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/C10H10O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h2-4H,5-6H2,1H3 |
| Smiles | COC1=CC=CC2=C1C(=O)CC2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.963167