Pterolinus B
PubChem CID: 53262811
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| Compound Synonyms | Pterolinus B, CHEBI:67382, CHEMBL1801599, DTXSID301212118, Q27135840, 2-(4-Hydroxyphenyl)-6-methoxy-3-methyl-5-benzofuranol, 1297315-12-8 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(4-hydroxyphenyl)-6-methoxy-3-methyl-1-benzofuran-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQFHUONRLJIEPG-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.855 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.631 |
| Compound Name | Pterolinus B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.213060799999999 |
| Inchi | InChI=1S/C16H14O4/c1-9-12-7-13(18)15(19-2)8-14(12)20-16(9)10-3-5-11(17)6-4-10/h3-8,17-18H,1-2H3 |
| Smiles | CC1=C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all