LJ1
Summary
Name: | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
Synonyms: | 3,5-Dimethyl-4-hydroxystilbene |
Formula: | C16 H16 O |
Formal charge: | 0 |
Formula weight: | 224.298 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
OpenEye OEToolkits | 1.5.0 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc2c(cc(\C=C\c1ccccc1)cc2C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(\C=C\c2ccccc2)cc(C)c1O |
SMILES | CACTVS | 3.341 | Cc1cc(C=Cc2ccccc2)cc(C)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)\C=C\c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)C=Cc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+ |
InChIKey | InChI | 1.03 | PAHKYLUYTGBFNW-CMDGGOBGSA-N |