(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol

C11H12O3S — CID 100930005

IUPAC(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
SMILESO=S(=O)(/C=C\C=C\CO)c1ccccc1
InChIInChI=1S/C11H12O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-8,10,12H,9H2/b5-2+,10-6-
InChIKeyGDVXPUHHWUYALV-WFSLVTIPSA-N
MW224.28 g/mol
LogP1.52
Rot. Bonds4

About (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol

(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol (PubChem CID 100930005) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
PubChem CID100930005
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
SMILESO=S(=O)(/C=C\C=C\CO)c1ccccc1
InChIInChI=1S/C11H12O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-8,10,12H,9H2/b5-2+,10-6-
InChIKeyGDVXPUHHWUYALV-WFSLVTIPSA-N
XLogP1.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
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(E)-4-(benzenesulfonyl)but-2-en-1-ol
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(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
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[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
CID 10655536
[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
CID 88513820
CID 88513820
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777
7-phenylhepta-2,4-dien-1-ol
CID 123622539

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol (CID 100930005) is (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol is O=S(=O)(/C=C\C=C\CO)c1ccccc1.
What is the InChIKey of (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol?
The InChIKey is GDVXPUHHWUYALV-WFSLVTIPSA-N. The full InChI is InChI=1S/C11H12O3S/c12-9-5-2-6-10-15(13,14)11-7-3-1-4-8-11/h1-8,10,12H,9H2/b5-2+,10-6-.
What are the key properties of (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol?
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol has a molecular weight of 224.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 100930005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).