(E)-1-(benzenesulfonyl)prop-1-en-2-ol

C9H10O3S — CID 118410381

IUPAC(E)-1-(benzenesulfonyl)prop-1-en-2-ol
SMILESC/C(O)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7,10H,1H3/b8-7+
InChIKeyVJZLPFLQBIXFMY-BQYQJAHWSA-N
MW198.24 g/mol
LogP1.88
Rot. Bonds2

About (E)-1-(benzenesulfonyl)prop-1-en-2-ol

(E)-1-(benzenesulfonyl)prop-1-en-2-ol (PubChem CID 118410381) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)prop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)prop-1-en-2-ol
PubChem CID118410381
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name(E)-1-(benzenesulfonyl)prop-1-en-2-ol
SMILESC/C(O)=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7,10H,1H3/b8-7+
InChIKeyVJZLPFLQBIXFMY-BQYQJAHWSA-N
XLogP1.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloroprop-1-enylsulfonylbenzene
CID 71326207
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
[(1E)-2-bromo-3-methylbuta-1,3-dienyl]sulfonylbenzene
CID 102324021
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
[4-(benzenesulfonyl)-3-methylbut-3-en-1-ynyl]-trimethylsilane
CID 23269839
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
N-[(E)-1-(benzenesulfonyl)prop-1-en-2-yl]butan-1-amine
CID 6383965
6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 154297646
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
(113C)ethenylsulfonylbenzene
CID 66995821
but-2-en-2-ylsulfonylbenzene
CID 85377514

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)prop-1-en-2-ol?
The IUPAC name of (E)-1-(benzenesulfonyl)prop-1-en-2-ol (CID 118410381) is (E)-1-(benzenesulfonyl)prop-1-en-2-ol.
What is the SMILES notation for (E)-1-(benzenesulfonyl)prop-1-en-2-ol?
The canonical SMILES for (E)-1-(benzenesulfonyl)prop-1-en-2-ol is C/C(O)=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)prop-1-en-2-ol?
The InChIKey is VJZLPFLQBIXFMY-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7,10H,1H3/b8-7+.
What are the key properties of (E)-1-(benzenesulfonyl)prop-1-en-2-ol?
(E)-1-(benzenesulfonyl)prop-1-en-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)prop-1-en-2-ol is sourced from PubChem (CID 118410381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).