1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)
Basic information
- CAS
40348-74-1- Standard SMILES
Cc1ccc(S(=O)(=O)OCC(O)c2ccccc2)cc1- InChIKey
IOTJIFRGXYQHAQ-UHFFFAOYSA-N- Molecular formula
- C15H16O4S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.07693016
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)
- IUPAC
- (2-hydroxy-2-phenylethyl) 4-methylbenzenesulfonate
Names & synonyms
40348-74-11,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)RefChem:2163252-[(4-methylbenzenesulfonyl)oxy]-1-phenylethan-1-ol(2-oxidanyl-2-phenyl-ethyl) 4-methylbenzenesulfonate(2-hydroxy-2-phenylethyl) 4-methylbenzenesulfonate(2-hydroxy-2-phenyl-ethyl) 4-methylbenzenesulfonateSCHEMBL4920359DTXSID701205244AKOS030228433SB44487SB45325
Show more names
LS-14391DB-049590DB-049591NS000580272-hydroxy-2-phenyl ethyl p-toluene sulfonate2-Hydroxy-2-phenylethyl 4-methylbenzene-1-sulfonate(S)-(+)-2-HYDROXY-2-PHENYLETHYL P-TOLUENESULFONATE
Database identifiers
- CAS
40348-74-1- PubChem CID
- 4371982
- DTXSID
DTXSID701205244- Nikkaji
- J1.315.469D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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