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2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate

HCID 285384
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5107-52-8
Standard SMILES
COc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
UOKUSZMAOBRGNL-UHFFFAOYSA-N
Molecular formula
C16H18O4S
Average molar mass
306.4 g/mol
Monoisotopic mass
306.09258006

Names & identifiers

Preferred name
2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate
IUPAC
2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonate

Names & synonyms

5107-52-82-(4-Methoxyphenyl)ethyl 4-methylbenzene-1-sulfonate1-[2-(4-methoxyphenyl)ethoxysulfonyl]-4-methyl-benzene2-(4-methoxyphenyl)ethyl 4-methylbenzenesulfonateNSC1422494-methoxyphenethyl tosylateSCHEMBL6803332DTXSID50965352UOKUSZMAOBRGNL-UHFFFAOYSA-N2-(4-methoxyphenyl)ethyl tosylateNSC-1422494-Methoxyphenethyl 4-methylbenzenesulfonate
Show more names
2-(4-methoxyphenyl)ethyl p-toluenesulfonate2-(p-methoxyphenyl)ethyl p-toluenesulfonateDS-008534EN300-7068622

Database identifiers

CAS
5107-52-8
PubChem CID
285384
DTXSID
DTXSID50965352
Nikkaji
J379.578K

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Formal charge
0
Complexity
385

Related reactions

6 records
New reaction record
HRID 155331 reaction equation
HRID 155331As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 992280 reaction equation
HRID 992280As reactantuspto-grants-2002_10
HRID 1550715 reaction equation
HRID 1550715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1859420 reaction equation
HRID 1859420As reactantuspto-grants-2003_03
HRID 1859444 reaction equation
HRID 1859444As reactantuspto-grants-2003_03
HRID 2345292 reaction equation
HRID 2345292As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes