(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol

C16H16O3S — CID 13446897

IUPAC(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
SMILESO=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c17-16(14-8-3-1-4-9-14)12-7-13-20(18,19)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKeySGWRCNGDQNBEOC-NTUHNPAUSA-N
MW288.37 g/mol
LogP3.10
Rot. Bonds5

About (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol

(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol (PubChem CID 13446897) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
PubChem CID13446897
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
SMILESO=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c17-16(14-8-3-1-4-9-14)12-7-13-20(18,19)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+
InChIKeySGWRCNGDQNBEOC-NTUHNPAUSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352

Frequently Asked Questions

What is the IUPAC name of (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The IUPAC name of (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol (CID 13446897) is (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol is O=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
The InChIKey is SGWRCNGDQNBEOC-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H16O3S/c17-16(14-8-3-1-4-9-14)12-7-13-20(18,19)15-10-5-2-6-11-15/h1-11,13,16-17H,12H2/b13-7+.
What are the key properties of (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol?
(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol has a molecular weight of 288.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 13446897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).