methyl 2-(4-hydroxyphenyl)ethenesulfonate

C9H10O4S — CID 123963649

IUPACmethyl 2-(4-hydroxyphenyl)ethenesulfonate
SMILESCOS(=O)(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O4S/c1-13-14(11,12)7-6-8-2-4-9(10)5-3-8/h2-7,10H,1H3
InChIKeyWNFURRKUUNTJDE-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.34
Rot. Bonds3

About methyl 2-(4-hydroxyphenyl)ethenesulfonate

methyl 2-(4-hydroxyphenyl)ethenesulfonate (PubChem CID 123963649) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)ethenesulfonate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)ethenesulfonate
PubChem CID123963649
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Namemethyl 2-(4-hydroxyphenyl)ethenesulfonate
SMILESCOS(=O)(=O)C=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O4S/c1-13-14(11,12)7-6-8-2-4-9(10)5-3-8/h2-7,10H,1H3
InChIKeyWNFURRKUUNTJDE-UHFFFAOYSA-N
XLogP1.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze methyl 2-(4-hydroxyphenyl)ethenesulfonate 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

tributyl-[(E)-2-(4-hydroxyphenyl)ethenyl]sulfonyloxyazanium
CID 53374620
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-(4-prop-1-enylphenyl)sulfonylphenol
CID 67220481
dimethyl ethene-1,2-disulfonate
CID 175077236
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
CID 171051478
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
CID 173091097

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)ethenesulfonate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)ethenesulfonate (CID 123963649) is methyl 2-(4-hydroxyphenyl)ethenesulfonate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)ethenesulfonate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)ethenesulfonate is COS(=O)(=O)C=Cc1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)ethenesulfonate?
The InChIKey is WNFURRKUUNTJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-13-14(11,12)7-6-8-2-4-9(10)5-3-8/h2-7,10H,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)ethenesulfonate?
methyl 2-(4-hydroxyphenyl)ethenesulfonate has a molecular weight of 214.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)ethenesulfonate is sourced from PubChem (CID 123963649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).