5-(3-Hydroxypropyl)-7-methoxybenzofuran
PubChem CID: 44568535
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| Compound Synonyms | 118930-92-0, 5-(3-hydroxypropyl)-7-methoxybenzofuran, 3-(7-methoxy-1-benzofuran-5-yl)propan-1-ol, 7-methoxy-5-benzofuranpropanol, CHEMBL505572, DTXSID20659519, AKOS015999043, FS-10208, DB-332602, CS-0023063, F93986 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Furocoumarins, Neolignans |
| Deep Smiles | OCCCcccOC))ccc6)cco5 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzofurans |
| Scaffold Graph Node Level | C1CCC2OCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(7-methoxy-1-benzofuran-5-yl)propan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H14O3 |
| Scaffold Graph Node Bond Level | c1ccc2occc2c1 |
| Inchi Key | PVSYYGYNHFDMLQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5-(3-hydroxypropyl)-7-methoxybenzofuran |
| Esol Class | Soluble |
| Functional Groups | CO, cOC, coc |
| Compound Name | 5-(3-Hydroxypropyl)-7-methoxybenzofuran |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| 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/C12H14O3/c1-14-11-8-9(3-2-5-13)7-10-4-6-15-12(10)11/h4,6-8,13H,2-3,5H2,1H3 |
| Smiles | COC1=C2C(=CC(=C1)CCCO)C=CO2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins, Lignans |
- 1. Outgoing r'ship
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