4-Phenylbutyl 4-methylbenzenesulfonate

HCID 15212886
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OCCCCc2ccccc2)cc1
InChIKey
BTBFNOYVZDSVPX-UHFFFAOYSA-N
Molecular formula
C17H20O3S
Average molar mass
304.4 g/mol
Monoisotopic mass
304.11331567

Names & identifiers

Preferred name
4-Phenylbutyl 4-methylbenzenesulfonate
IUPAC
4-phenylbutyl 4-methylbenzenesulfonate

Names & synonyms

4-phenylbutyl 4-methylbenzenesulfonate112775-09-4MFCD001592384-phenylbutyl 4-methylbenzene-1-sulfonateSCHEMBL2310681SCHEMBL5953395SCHEMBL64596834-phenylbutyl p-toluenesulfonateBTBFNOYVZDSVPX-UHFFFAOYSA-N4-phenyl-butyl 4-methylbenzenesulfonateBS-51974E74023
Show more names
EN300-7188884

Database identifiers

PubChem CID
15212886
Nikkaji
J1.129.925C

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
21

Related reactions

1 records
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Compound notes

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