Hydroxyobustyrene
PubChem CID: 11777169
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| Compound Synonyms | HYDROXYOBUSTYRENE, 3-methoxy-4-((E)-3-phenylprop-2-enyl)benzene-1,2-diol, 3-methoxy-4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol, CHEMBL243672 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-4-[(E)-3-phenylprop-2-enyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WGXMQVRYJCAUFL-VMPITWQZSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.316 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.118 |
| Compound Name | Hydroxyobustyrene |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9949346210526304 |
| Inchi | InChI=1S/C16H16O3/c1-19-16-13(10-11-14(17)15(16)18)9-5-8-12-6-3-2-4-7-12/h2-8,10-11,17-18H,9H2,1H3/b8-5+ |
| Smiles | COC1=C(C=CC(=C1O)O)C/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all