3-(3,4-Dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-acrylonitrile

HCID 69203166
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Basic information

Standard SMILES
COc1ccc(C(=CC#N)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIKey
UYRLBVHNBIPJGW-UHFFFAOYSA-N
Molecular formula
C20H21NO5
Average molar mass
355.4 g/mol
Monoisotopic mass
355.14197277

Names & identifiers

Preferred name
3-(3,4-Dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-acrylonitrile
IUPAC
3-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Names & synonyms

CHEMBL1915829SCHEMBL4818464UYRLBVHNBIPJGW-UHFFFAOYSA-NBDBM504844383-(3,4-dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-acrylonitrile

Database identifiers

PubChem CID
69203166
ChEMBL
CHEMBL1915829

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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