Basic information
- CAS
5350-72-1- Standard SMILES
CCCCS(=O)(=O)CC(O)COc1ccccc1- InChIKey
HQPPUDGUSSQEEK-UHFFFAOYSA-N- Molecular formula
- C13H20O4S
- Average molar mass
- 272.36 g/mol
- Monoisotopic mass
- 272.10823029
Names & identifiers
- Preferred name
- 1-Butylsulfonyl-3-phenoxypropan-2-ol
- IUPAC
- 1-butylsulfonyl-3-phenoxypropan-2-ol
Names & synonyms
1-butylsulfonyl-3-phenoxypropan-2-ol5350-72-11-(butylsulfonyl)-3-phenoxy-2-propanolCBMicro_024268MixCom6_001292DTXSID60416805CCG-7011BIM-0024244.P0011-(Butane-1-sulfonyl)-3-phenoxypropan-2-ol
Database identifiers
- CAS
5350-72-1- PubChem CID
- 5339002
- DTXSID
DTXSID60416805
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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