Benzofurans
PubChem CID: 253613
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| Compound Synonyms | 2,3-Diphenylbenzofuran, Benzofurans, 13054-95-0, 2,3-diphenyl-1-benzofuran, DTXSID30291601, C20H14O, Coumarones, Benzofuran,2,3-diphenyl-, bisphenylbenzofuran, NSC76724, 2,3-diphenyl-benzofuran, 2,3-diphenylbenzo[b]furan, SCHEMBL592430, CHEMBL4581433, CHEBI:35259, DTXCID40242745, MPNFMCAOBNNFJF-UHFFFAOYSA-N, NSC-76724, DS-010365 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CC3CCCCC3C2C2CCCCC2)CC1 |
| Deep Smiles | cccccc6))ccocc5cccc6)))))))cccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | 2-arylbenzofuran flavonoids |
| Scaffold Graph Node Level | C1CCC(C2OC3CCCCC3C2C2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-diphenyl-1-benzofuran |
| Class | 2-arylbenzofuran flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.6 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H14O |
| Scaffold Graph Node Bond Level | c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1 |
| Inchi Key | MPNFMCAOBNNFJF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | Benzofurans, Coumarones, Diphenylbenzofuran, 2,3-diphenylbenzofuran, benzofurans |
| Esol Class | Moderately soluble |
| Functional Groups | coc |
| Compound Name | Benzofurans |
| Kingdom | Organic compounds |
| Exact Mass | 270.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 270.3 |
| 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 |
| Inchi | InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14H |
| Smiles | C1=CC=C(C=C1)C2=C(OC3=CC=CC=C32)C4=CC=CC=C4 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 2-arylbenzofuran flavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Reference:ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference:ISBN:9780387706375