2-{4-[3E-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-acryloyl]-phenyl}-2-methyl-propionic acid

HCID 21041602
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Basic information

Standard SMILES
COc1cc(OC)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(C)(C)C(=O)O)cc1
InChIKey
YUYYRDVDMPFRMS-FMIVXFBMSA-N
Molecular formula
C25H24O5S
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
2-{4-[3E-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-acryloyl]-phenyl}-2-methyl-propionic acid
IUPAC
2-[4-[(E)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanoic acid

Names & synonyms

SCHEMBL6040672YUYYRDVDMPFRMS-FMIVXFBMSA-N2-{4-[3E-(2,4-Dimethoxy-5-thiophen-2-yl-phenyl)-acryloyl]-phenyl}-2-methyl-propionic acid

Database identifiers

PubChem CID
21041602

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Compound notes

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