4-ethenylbenzenesulfonic acid;methanol

C9H12O4S — CID 172742090

IUPAC4-ethenylbenzenesulfonic acid;methanol
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.CO
InChIInChI=1S/C8H8O3S.CH4O/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2/h2-6H,1H2,(H,9,10,11);2H,1H3
InChIKeyJFUOUKVYSCJIQJ-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.18
Rot. Bonds2

About 4-ethenylbenzenesulfonic acid;methanol

4-ethenylbenzenesulfonic acid;methanol (PubChem CID 172742090) has the molecular formula C9H12O4S and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-ethenylbenzenesulfonic acid;methanol.

Molecular Properties

Compound Name4-ethenylbenzenesulfonic acid;methanol
PubChem CID172742090
Molecular FormulaC9H12O4S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name4-ethenylbenzenesulfonic acid;methanol
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.CO
InChIInChI=1S/C8H8O3S.CH4O/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2/h2-6H,1H2,(H,9,10,11);2H,1H3
InChIKeyJFUOUKVYSCJIQJ-UHFFFAOYSA-N
XLogP1.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
CID 88633665
4-ethenylbenzenesulfonic acid;2-ethenyl-6-methylbenzenesulfonic acid
CID 88655770
N,N-dioctyloctan-1-amine;4-ethenylbenzenesulfonic acid
CID 146593126
4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonic acid
CID 89483805
5-ethenyl-2-methylpyridine;4-methylbenzenesulfonic acid
CID 71385600
4-ethenylbenzenesulfonic acid;1-ethylimidazole
CID 71420556
4-ethenylbenzenesulfonic acid;1-methyl-3-propyl-2H-imidazole
CID 175397948
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
4-formylbenzenesulfonic acid;hydrochloride
CID 174959940
bis(4-ethenyl-N,N-dimethylaniline);4-methylbenzenesulfonic acid;2-methylprop-2-enoic acid
CID 173308124
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466

Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzenesulfonic acid;methanol?
The IUPAC name of 4-ethenylbenzenesulfonic acid;methanol (CID 172742090) is 4-ethenylbenzenesulfonic acid;methanol.
What is the SMILES notation for 4-ethenylbenzenesulfonic acid;methanol?
The canonical SMILES for 4-ethenylbenzenesulfonic acid;methanol is C=Cc1ccc(S(=O)(=O)O)cc1.CO.
What is the InChIKey of 4-ethenylbenzenesulfonic acid;methanol?
The InChIKey is JFUOUKVYSCJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.CH4O/c1-2-7-3-5-8(6-4-7)12(9,10)11;1-2/h2-6H,1H2,(H,9,10,11);2H,1H3.
What are the key properties of 4-ethenylbenzenesulfonic acid;methanol?
4-ethenylbenzenesulfonic acid;methanol has a molecular weight of 216.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzenesulfonic acid;methanol is sourced from PubChem (CID 172742090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).