2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol

C16H16O3S — CID 10902292

IUPAC2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
SMILESC=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-15(16(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h2-12,15-17H,1H2
InChIKeyYIBGOHYLDXDIPV-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol

2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol (PubChem CID 10902292) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
PubChem CID10902292
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
SMILESC=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-15(16(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h2-12,15-17H,1H2
InChIKeyYIBGOHYLDXDIPV-UHFFFAOYSA-N
XLogP2.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
Thiochroman-4-ol
CID 375102
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
[2-(Phenylsulfanyl)phenyl]methanol
CID 12682368
(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol (CID 10902292) is 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol is C=CC(C(O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The InChIKey is YIBGOHYLDXDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-2-15(16(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14/h2-12,15-17H,1H2.
What are the key properties of 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 10902292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).