2QO
Summary
| Name: | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid |
| Synonyms: | (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid |
| Formula: | C18 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (E)-3-[4-oxidanyl-3-(3-prop-2-enylphenyl)phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\c2ccc(O)c(c1cc(ccc1)C\C=C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C18H16O3/c1-2-4-13-5-3-6-15(11-13)16-12-14(7-9-17(16)19)8-10-18(20)21/h2-3,5-12,19H,1,4H2,(H,20,21)/b10-8+ |
| InChIKey | InChI | 1.03 | RHYATHLMUIVCPK-CSKARUKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(O)c(c1)c2cccc(CC=C)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(O)c(c1)c2cccc(CC=C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCc1cccc(c1)c2cc(ccc2O)C=CC(=O)O |
