3-Methoxy-2-phenyl-thieno[2,3-h]chromen-4-one
PubChem CID: 5274465
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| Compound Synonyms | 3-methoxy-2-phenyl-thieno[2,3-h]chromen-4-one, 4H-Thieno[2,3-h]-1-benzopyran-4-one, 3-methoxy-2-phenyl- |
|---|---|
| Topological Polar Surface Area | 63.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2-phenylthieno[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H12O3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | DBUYIOYCBUXFSH-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -5.895 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.926 |
| Compound Name | 3-Methoxy-2-phenyl-thieno[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.652910509090908 |
| Inchi | InChI=1S/C18H12O3S/c1-20-18-15(19)13-7-8-14-12(9-10-22-14)17(13)21-16(18)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=C(OC2=C(C1=O)C=CC3=C2C=CS3)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fordia Cauliflora (Plant) Rel Props:Source_db:cmaup_ingredients