5-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-5-phenylvaleronitrile

HCID 19088086
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Basic information

Standard SMILES
COc1c(C)c(C)c(OC)c(C(CCCC#N)c2ccccc2)c1C
InChIKey
UTAXULNBXPDBTP-UHFFFAOYSA-N
Molecular formula
C22H27NO2
Average molar mass
337.5 g/mol

Names & identifiers

Preferred name
5-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-5-phenylvaleronitrile
IUPAC
5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylpentanenitrile

Names & synonyms

SCHEMBL9308768UTAXULNBXPDBTP-UHFFFAOYSA-N5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-phenylvaleronitrile

Database identifiers

PubChem CID
19088086

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
25

Related reactions

3 records
New reaction record

Linked notes

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