Methyl 3-methylsulfonyl-4-(6-methyl-3-pyridyloxy)benzoate

HCID 19360282
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Basic information

Standard SMILES
COC(=O)c1ccc(Oc2ccc(C)nc2)c(S(C)(=O)=O)c1
InChIKey
QDDHXCGRSIUQQU-UHFFFAOYSA-N
Molecular formula
C15H15NO5S
Average molar mass
321.3 g/mol

Names & identifiers

Preferred name
Methyl 3-methylsulfonyl-4-(6-methyl-3-pyridyloxy)benzoate
IUPAC
methyl 4-[(6-methyl-3-pyridinyl)oxy]-3-methylsulfonylbenzoate

Names & synonyms

SCHEMBL8186035QDDHXCGRSIUQQU-UHFFFAOYSA-Nmethyl 3-methylsulfonyl-4-(6-methyl-3-pyridyloxy)benzoate

Database identifiers

PubChem CID
19360282

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
90.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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