1-(3,4-Dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexan-3-ol

HCID 13745754
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Basic information

Standard SMILES
COc1ccc(CC(C(O)CCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC
InChIKey
DAKOLJUPKXQAAW-UHFFFAOYSA-N
Molecular formula
C26H34N2O7
Average molar mass
486.6 g/mol

Names & identifiers

Preferred name
1-(3,4-Dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexan-3-ol
IUPAC
2,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile

Names & synonyms

SCHEMBL10771195DAKOLJUPKXQAAW-UHFFFAOYSA-N1-(3,4-dimethoxyphenyl)-2-nitro-6-cyano-6-(prop-2-yl)-6-(3,4-dimethoxyphenyl)hexan-3-ol

Database identifiers

PubChem CID
13745754

Properties

Computed structural properties

XLogP
3
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
35

Related reactions

6 records
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Compound notes

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