Basic information
- Standard SMILES
COC(=O)COc1ccc(OC/C=C(/c2ccc(Br)cc2)c2ccc(C#Cc3ccc(CO)cc3)cc2)cc1C- InChIKey
JQLDWVAEFYURSM-BIZUNTBRSA-N- Molecular formula
- C34H29BrO5
- Average molar mass
- 597.5 g/mol
- Monoisotopic mass
- 596.11984
Names & identifiers
- Preferred name
- methyl (E)-[4-[3-(4-bromophenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methylphenoxy]acetate
- IUPAC
- methyl 2-[4-[(E)-3-(4-bromophenyl)-3-[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
Names & synonyms
JQLDWVAEFYURSM-BIZUNTBRSA-Nmethyl (E)-[4-[3-(4-bromophenyl)-3-[4-[4-(hydroxymethyl)-phenylethynyl]phenyl]allyloxy]-2-methylphenoxy]acetatemethyl (E)-[4-[3-(4-bromophenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methylphenoxy]acetate
Database identifiers
- PubChem CID
- 86629324
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 865
Related reactions
3 records
Compound notes
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