1-(Benzyloxy)-3-(4-methylbenzene-1-sulfinyl)propan-2-ol
Basic information
- CAS
50921-28-3- Standard SMILES
Cc1ccc(S(=O)CC(O)COCc2ccccc2)cc1- InChIKey
DUBGSNRWQRGYBH-UHFFFAOYSA-N- Molecular formula
- C17H20O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.11331567
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-3-(4-methylbenzene-1-sulfinyl)propan-2-ol
- IUPAC
- 1-(4-methylphenyl)sulfinyl-3-phenylmethoxypropan-2-ol
Names & synonyms
50921-28-3NSC3009131-(Benzyloxy)-3-(4-methylbenzene-1-sulfinyl)propan-2-olDTXSID70316221NSC-300913DS-0080741-(4-methylphenyl)sulfinyl-3-phenylmethoxy-propan-2-ol
Database identifiers
- CAS
50921-28-3- PubChem CID
- 327161
- DTXSID
DTXSID70316221
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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