6-(4-Methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl ester

HCID 59560437
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Basic information

Standard SMILES
COC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc2c1CC(C)O2
InChIKey
LMIYXNVXZLWTIX-UHFFFAOYSA-N
Molecular formula
C18H18O6S
Average molar mass
362.4 g/mol

Names & identifiers

Preferred name
6-(4-Methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl ester
IUPAC
methyl 2-methyl-6-(4-methylsulfonylphenoxy)-2,3-dihydro-1-benzofuran-4-carboxylate

Names & synonyms

SCHEMBL644314LMIYXNVXZLWTIX-UHFFFAOYSA-N6-(4-methanesulfonyl-phenoxy)-2-methyl-2,3-dihydro-benzofuran-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
59560437

Properties

Computed structural properties

XLogP
3
Topological polar surface area
87.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

Related reactions

56 records
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Compound notes

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