(E)-4-(benzenesulfonyl)but-2-en-1-ol

C10H12O3S — CID 102081679

IUPAC(E)-4-(benzenesulfonyl)but-2-en-1-ol
SMILESO=S(=O)(C/C=C/CO)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+
InChIKeyZMRIPMQPSGWABC-SNAWJCMRSA-N
MW212.27 g/mol
LogP1.01
Rot. Bonds4

About (E)-4-(benzenesulfonyl)but-2-en-1-ol

(E)-4-(benzenesulfonyl)but-2-en-1-ol (PubChem CID 102081679) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (E)-4-(benzenesulfonyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(benzenesulfonyl)but-2-en-1-ol
PubChem CID102081679
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(E)-4-(benzenesulfonyl)but-2-en-1-ol
SMILESO=S(=O)(C/C=C/CO)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+
InChIKeyZMRIPMQPSGWABC-SNAWJCMRSA-N
XLogP1.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.01
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

(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
CID 132580999
(E)-4-(benzenesulfonyl)-2-methylbut-2-enoic acid
CID 10399384
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
5-[(E)-4-(benzenesulfonyl)but-2-enoxy]-2-hydroxybenzoic acid
CID 67790087
fluorobenzene;prop-2-enylsulfonylbenzene
CID 174649158
[(E)-7-(benzenesulfonyl)-1-phenylhept-5-en-3-yl] benzoate
CID 163359659
2-(benzenesulfonylmethyl)prop-2-enoic acid
CID 14296318
4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
CID 15195507
10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
CID 71349271
(E)-4-(4-methylphenyl)sulfonylbut-2-enoic acid
CID 115043674

Frequently Asked Questions

What is the IUPAC name of (E)-4-(benzenesulfonyl)but-2-en-1-ol?
The IUPAC name of (E)-4-(benzenesulfonyl)but-2-en-1-ol (CID 102081679) is (E)-4-(benzenesulfonyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(benzenesulfonyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(benzenesulfonyl)but-2-en-1-ol is O=S(=O)(C/C=C/CO)c1ccccc1.
What is the InChIKey of (E)-4-(benzenesulfonyl)but-2-en-1-ol?
The InChIKey is ZMRIPMQPSGWABC-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-7,11H,8-9H2/b5-4+.
What are the key properties of (E)-4-(benzenesulfonyl)but-2-en-1-ol?
(E)-4-(benzenesulfonyl)but-2-en-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(benzenesulfonyl)but-2-en-1-ol is sourced from PubChem (CID 102081679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).