Basic information
- Standard SMILES
CC(C)(C)OC(=O)/C=C/c1ccc(C(=C2CCSCC2)c2ccc(O)cc2)cc1- InChIKey
YBURPTXZZUFIPH-AWNIVKPZSA-N- Molecular formula
- C25H28O3S
- Average molar mass
- 408.6 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl(2E)-3-{4-[(4-hydroxyphenyl)(tetrahydro-4H-thiopyran-4-ylidene)methyl]phenyl}-2-propenoate
- IUPAC
- tert-butyl (E)-3-[4-[(4-hydroxyphenyl)-(thian-4-ylidene)methyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL4260678YBURPTXZZUFIPH-AWNIVKPZSA-N1,1-Dimethylethyl (2E)-3-{4-[(4-hydroxyphenyl)(tetrahydro-4H-thiopyran-4-ylidene)methyl]phenyl}-2-propenoate1,1-Dimethylethyl(2E)-3-{4-[(4-hydroxyphenyl)(tetrahydro-4H-thiopyran-4-ylidene)methyl]phenyl}-2-propenoate
Database identifiers
- PubChem CID
- 68978299
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
6 records
Compound notes
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