MLO
Summary
| Name: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol |
| Synonyms: | magnolol |
| Formula: | C18 H18 O2 |
| Formal charge: | 0 |
| Formula weight: | 266.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol |
| OpenEye OEToolkits | 1.7.0 | 2-(2-hydroxy-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O |
| SMILES | CACTVS | 3.370 | Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O |
| InChI | InChI | 1.03 | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
| InChIKey | InChI | 1.03 | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
