methyl (E)-[4-[3-(4-bromophenyl)-3-[4-[4-(hydroxymethyl)phenylethynyl]phenyl]allyloxy]-2-methylphenoxy]acetate

HCID 86629324

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

Related reactions

3 records

Compound notes

Loading…