7-Hydroxy-3-(4-hydroxybenzyl)chroman
PubChem CID: 11708657
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| Compound Synonyms | 7-hydroxy-3-(4-hydroxybenzyl)chroman, 1180504-64-6, 7,4'-Dihydroxyhomoisoflavane, 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol, CHEMBL4457323, 3-(4-Hydroxybenzyl)chroman-7-ol, 148462-00-4, 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol, 3-((4-hydroxyphenyl)methyl)-3,4-dihydro-2H-chromen-7-ol, starbld0037902, Compound NP-025093, BDBM50535252, HY-N12291, AKOS040736880, 7-hydroxy-3-(4-hydroxybenzyl)chromane, FS-7889, DA-49960, DA-69086, CS-0897296 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXMQROMLTBPBKV-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.676 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.772 |
| Compound Name | 7-Hydroxy-3-(4-hydroxybenzyl)chroman |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9253346210526314 |
| Inchi | InChI=1S/C16H16O3/c17-14-4-1-11(2-5-14)7-12-8-13-3-6-15(18)9-16(13)19-10-12/h1-6,9,12,17-18H,7-8,10H2 |
| Smiles | C1C(COC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients