2,3-Dihydro-2-methylbenzofuran
PubChem CID: 101130
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| Compound Synonyms | 2,3-Dihydro-2-methylbenzofuran, 1746-11-8, 2-Methyl-2,3-dihydrobenzofuran, 2-Methyl-2,3-dihydro-1-benzofuran, 2-Methylcoumaran, Benzofuran, 2,3-dihydro-2-methyl-, EINECS 217-124-8, AI3-18884, MFCD00023003, NSC 403556, Benzofuran,2,3-dihydro-2-methyl-, 2,3-dihydro-2-methylbenzo[b]furan, 2,3-Dihydro-2-methylbenzo[b]furan, 2,3-Dihydro-2-methylbenzofuran, 2-Methyl-2,3-dihydro-1-benzo[b]furan, 2-Methyl-2,3-dihydrobenzo[b]furan, 2-Methyl-2,3-dihydrobenzofuran, NSC403556, SCHEMBL765957, Benzofuran, 2,3dihydro2methyl, Benzofuran,3-dihydro-2-methyl-, 2-methyl-2,3-dihydro-benzofuran, DTXSID60870908, HMS1741N08, BAA74611, AKOS000447041, AKOS016340176, CF-0246, NSC-403556, 2-Methyl-2,3-dihydro-1-benzofuran #, racemic 2-methyl-2,3-dihydrobenzofuran, SY054011, DB-043980, D1537, NS00045594, D89877, Z104378304, 217-124-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | CCCccO5)cccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Coumarans |
| Scaffold Graph Node Level | C1CCC2OCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2,3-dihydro-1-benzofuran |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCO2 |
| Inchi Key | BWCJVGMZEQDOMY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-dihydro-2-methylbenzofuran |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 2,3-Dihydro-2-methylbenzofuran |
| Exact Mass | 134.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 134.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3 |
| Smiles | CC1CC2=CC=CC=C2O1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<15::aid-ffj604>3.0.co;2-5