O-(p-toluenesulfonyl)-m-phenoxymandelonitrile

HCID 12945136
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)cc1
InChIKey
IAQLMUZMYWKWAQ-UHFFFAOYSA-N
Molecular formula
C21H17NO4S
Average molar mass
379.4 g/mol

Names & identifiers

Preferred name
O-(p-toluenesulfonyl)-m-phenoxymandelonitrile
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 4-methylbenzenesulfonate

Names & synonyms

O-(p-toluenesulfonyl)-m-phenoxymandelonitrileO-[p-toluenesulfonyl)-m-phenoxymandelonitrileSCHEMBL11024616IAQLMUZMYWKWAQ-UHFFFAOYSA-Nalpha-cyano-3-phenoxybenzyl p-toluenesulphonate

Database identifiers

PubChem CID
12945136

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
84.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

6 records
New reaction record

Compound notes

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