2-[(E)-3-phenylprop-2-enyl]sulfonylethanol

C11H14O3S — CID 11492314

IUPAC2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
SMILESO=S(=O)(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C11H14O3S/c12-8-10-15(13,14)9-4-7-11-5-2-1-3-6-11/h1-7,12H,8-10H2/b7-4+
InChIKeyKWMUBNVIPHJIEE-QPJJXVBHSA-N
MW226.30 g/mol
LogP1.11
Rot. Bonds5

About 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol

2-[(E)-3-phenylprop-2-enyl]sulfonylethanol (PubChem CID 11492314) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
PubChem CID11492314
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
SMILESO=S(=O)(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C11H14O3S/c12-8-10-15(13,14)9-4-7-11-5-2-1-3-6-11/h1-7,12H,8-10H2/b7-4+
InChIKeyKWMUBNVIPHJIEE-QPJJXVBHSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]sulfonylethanamine;2-[(E)-3-phenylprop-2-enyl]sulfonylethanamine
CID 158375132
1-(3,5-dimethylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfonylethanol
CID 111472416
stilbene;sulfuric acid
CID 67612140
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
CID 70468430
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
CID 126693424
(E)-9-phenylnon-8-en-1-ol
CID 10489025
diethyl-[(E)-3-phenylprop-2-enyl]azanium;hydrogen sulfate
CID 86298238
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol (CID 11492314) is 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol is O=S(=O)(C/C=C/c1ccccc1)CCO.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol?
The InChIKey is KWMUBNVIPHJIEE-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H14O3S/c12-8-10-15(13,14)9-4-7-11-5-2-1-3-6-11/h1-7,12H,8-10H2/b7-4+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol?
2-[(E)-3-phenylprop-2-enyl]sulfonylethanol has a molecular weight of 226.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]sulfonylethanol is sourced from PubChem (CID 11492314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).