Basic information
- Standard SMILES
COC(=O)COc1ccc(OC/C=C(\c2ccc(C#Cc3ccc(CO)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1C- InChIKey
VPRQGDLHSKLXQF-FADJLKOXSA-N- Molecular formula
- C38H38O5
- Average molar mass
- 574.7 g/mol
- Monoisotopic mass
- 574.27192431
Names & identifiers
- Preferred name
- methyl (Z)-[4-[3-(4-tert-butylphenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methyl-phenoxy]acetate
- IUPAC
- methyl 2-[4-[(Z)-3-(4-tert-butylphenyl)-3-[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
Names & synonyms
VPRQGDLHSKLXQF-FADJLKOXSA-Nmethyl (Z)-[4-[3-(4-tert-butylphenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methyl-phenoxy]acetatemethyl (Z)-[4-[3-(4-tert-butylphenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methylphenoxy]acetate
Database identifiers
- PubChem CID
- 86629323
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 942
Related reactions
3 records
Compound notes
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