naphtho[2,1-b]furan-1(2H)-one
PubChem CID: 1471585
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| Compound Synonyms | naphtho[2,1-b]furan-1(2H)-one, 19997-42-3, Naphtho[2,1-b]furan-1-one, 1H,2H-NAPHTHO[2,1-B]FURAN-1-ONE, benzo[e][1]benzofuran-1-one, TCMDC-123508, Naphtho(2,1-b)furan-1-one, naphthofuranone, MFCD00975011, SCHEMBL86321, MLS001165279, CHEMBL587020, DTXSID90362987, IONYAPWXJUCNPR-UHFFFAOYSA-N, HMS2860F05, AKOS006274524, 1,2-Dihydronaphtho[2,1-b]furan-1-one, 2H-NAPHTHO[2,1-B]FURAN-1-ONE, SMR000549793, CS-0333690, 2M-935 |
|---|---|
| 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 | CC1CCC2CCC3CCCCC3C12 |
| Deep Smiles | O=CCOcc5cccccc6cc%10 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | OC1COC2CCC3CCCCC3C12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzo[e][1]benzofuran-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H8O2 |
| Scaffold Graph Node Bond Level | O=C1COc2ccc3ccccc3c21 |
| Inchi Key | IONYAPWXJUCNPR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | naphthofuranones |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | naphtho[2,1-b]furan-1(2H)-one |
| Exact Mass | 184.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.19 |
| 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/C12H8O2/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2 |
| Smiles | C1C(=O)C2=C(O1)C=CC3=CC=CC=C32 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Procumbens (Plant) Rel Props:Reference:ISBN:9780387706375