5-Allyl-3-(3-allylphenoxy)benzene-1,2-diol
PubChem CID: 45270574
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| Compound Synonyms | CHEMBL551850, RVIUPPNYFNZVFG-UHFFFAOYSA-N, 5-allyl-3-(3-allylphenoxy)benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-prop-2-enyl-3-(3-prop-2-enylphenoxy)benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C18H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVIUPPNYFNZVFG-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.551 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.61 |
| Compound Name | 5-Allyl-3-(3-allylphenoxy)benzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 282.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.691758942857142 |
| Inchi | InChI=1S/C18H18O3/c1-3-6-13-8-5-9-15(10-13)21-17-12-14(7-4-2)11-16(19)18(17)20/h3-5,8-12,19-20H,1-2,6-7H2 |
| Smiles | C=CCC1=CC(=CC=C1)OC2=CC(=CC(=C2O)O)CC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Streblus Asper (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all