5-Benzofuranol, 2,3-dihydro-2-(4-methoxyphenyl)-
PubChem CID: 11160849
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| Compound Synonyms | 825634-84-2, 5-Benzofuranol, 2,3-dihydro-2-(4-methoxyphenyl)-, DTXSID20457315, 2-(4-methoxyphenyl)-2,3-dihydrobenzofuran-5-ol, DTXCID10408134 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAKNZZCPMMZJOM-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.604 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.147 |
| Compound Name | 5-Benzofuranol, 2,3-dihydro-2-(4-methoxyphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6375321333333326 |
| Inchi | InChI=1S/C15H14O3/c1-17-13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)18-15/h2-8,15-16H,9H2,1H3 |
| Smiles | COC1=CC=C(C=C1)C2CC3=C(O2)C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corsinia Coriandrina (Plant) Rel Props:Source_db:cmaup_ingredients