1-Methyl-2-[3-(methyloxy)phenyl]ethyl methanesulfonate

HCID 86616635
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Basic information

Standard SMILES
COc1cccc(CC(C)OS(C)(=O)=O)c1
InChIKey
DIBNXSYXZUMQBE-UHFFFAOYSA-N
Molecular formula
C11H16O4S
Average molar mass
244.31 g/mol

Names & identifiers

Preferred name
1-Methyl-2-[3-(methyloxy)phenyl]ethyl methanesulfonate
IUPAC
1-(3-methoxyphenyl)propan-2-yl methanesulfonate

Names & synonyms

SCHEMBL31784391-methyl-2-[3-(methyloxy)phenyl]ethyl methanesulfonateDIBNXSYXZUMQBE-UHFFFAOYSA-N872548-72-6DB-3728111-(3-methoxyphenyl)propan-2-yl methanesulfonate

Database identifiers

PubChem CID
86616635

Properties

Computed structural properties

XLogP
2
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Related reactions

5 records
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Compound notes

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