1-(Phenylethynyl)-4-(phenylsulfonyl)benzene

HCID 21099403
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Basic information

Standard SMILES
O=S(=O)(c1ccccc1)c1ccc(C#Cc2ccccc2)cc1
InChIKey
VPOVUKAGJRWFFW-UHFFFAOYSA-N
Molecular formula
C20H14O2S
Average molar mass
318.4 g/mol

Names & identifiers

Preferred name
1-(Phenylethynyl)-4-(phenylsulfonyl)benzene
IUPAC
1-(benzenesulfonyl)-4-(2-phenylethynyl)benzene

Names & synonyms

SCHEMBL3171284VPOVUKAGJRWFFW-UHFFFAOYSA-N1-(phenylethynyl)-4-(phenylsulfonyl)benzene

Database identifiers

PubChem CID
21099403

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

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