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Compound
3-[(4-Phenoxyphenyl)sulfonyl]propan-1-ol
HCID
19366802
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=S(=O)(CCCO)c1ccc(Oc2ccccc2)cc1
InChIKey
YYKICTHLPHZNJX-UHFFFAOYSA-N
Molecular formula
C15H16O4S
Average molar mass
292.4 g/mol
Names & identifiers
Preferred name
3-[(4-Phenoxyphenyl)sulfonyl]propan-1-ol
IUPAC
3-(4-phenoxyphenyl)sulfonylpropan-1-ol
Names & synonyms
SCHEMBL7212133
YYKICTHLPHZNJX-UHFFFAOYSA-N
3-[(4-phenoxyphenyl)sulfonyl]propan-1-ol
Database identifiers
PubChem CID
19366802
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
72 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
360
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
87803
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
849547
As product
uspto-grants-2000_01
HRID
849548
As reactant
uspto-grants-2000_01
Compound notes
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