6-methoxy-2H-chromene
PubChem CID: 29052
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| Compound Synonyms | 6-methoxy-2H-chromene, 18385-84-7, 2H-1-BENZOPYRAN, 6-METHOXY-, 6-Methoxy-2H-1-benzopyran, 6-Methoxy-alpha-chromene, BRN 1282135, 5-17-04-00216 (Beilstein Handbook Reference), 6-methoxy-2H-[1]benzopyran, SCHEMBL5229806, DTXSID80171489, LMCDFCKWRNBXBB-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | COcccccc6)C=CCO6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2OCCCC2C1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2H-chromene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O2 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2OC1 |
| Inchi Key | LMCDFCKWRNBXBB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 6-methoxy-2h-1-benzopyran |
| Esol Class | Soluble |
| Functional Groups | cC=CC, cOC |
| Compound Name | 6-methoxy-2H-chromene |
| 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/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7H,6H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)OCC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17202693