5-(1-Benzofuran-2-yl)-2-methylbenzene-1,3-diol
PubChem CID: 641365
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| Compound Synonyms | STEMOFURAN C, 1,3-benzenediol, 5-(2-benzofuranyl)-2-methyl-, 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol, CHEMBL462853, InChI=1/C15H12O3/c1-9-12(16)6-11(7-13(9)17)15-8-10-4-2-3-5-14(10)18-15/h2-8,16-17H,1H |
|---|---|
| Topological Polar Surface Area | 53.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(1-benzofuran-2-yl)-2-methylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJNBNDIUQWFUNM-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.656 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.225 |
| Compound Name | 5-(1-Benzofuran-2-yl)-2-methylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.488466266666666 |
| Inchi | InChI=1S/C15H12O3/c1-9-12(16)6-11(7-13(9)17)15-8-10-4-2-3-5-14(10)18-15/h2-8,16-17H,1H3 |
| Smiles | CC1=C(C=C(C=C1O)C2=CC3=CC=CC=C3O2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all