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3-[(4-Phenoxyphenyl)sulfonyl]propan-1-ol

HCID 19366802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL7212133YYKICTHLPHZNJX-UHFFFAOYSA-N3-[(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

Related reactions

3 records
New reaction record
HRID 87803 reaction equation
HRID 87803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 849547 reaction equation
HRID 849547As productuspto-grants-2000_01
HRID 849548 reaction equation
HRID 849548As reactantuspto-grants-2000_01

Compound notes

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