4-[4-(methylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

HCID 68433769
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Basic information

Standard SMILES
C=CC(=O)C(CC1CCOCC1)c1ccc(S(C)(=O)=O)cc1
InChIKey
VBQOXCHVMFGQDJ-UHFFFAOYSA-N
Molecular formula
C17H22O4S
Average molar mass
322.4 g/mol

Names & identifiers

Preferred name
4-[4-(methylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one
IUPAC
4-(4-methylsulfonylphenyl)-5-(oxan-4-yl)pent-1-en-3-one

Names & synonyms

SCHEMBL2901504VBQOXCHVMFGQDJ-UHFFFAOYSA-N4-[4-(methylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Database identifiers

PubChem CID
68433769

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
22

Related reactions

18 records
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Compound notes

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