2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid

C14H18O7S — CID 154217964

IUPAC2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid
SMILESC=C(C)C(=O)OCCOc1cccc(S(=O)(=O)O)c1OCC
InChIInChI=1S/C14H18O7S/c1-4-19-13-11(6-5-7-12(13)22(16,17)18)20-8-9-21-14(15)10(2)3/h5-7H,2,4,8-9H2,1,3H3,(H,16,17,18)
InChIKeyJXOZZLCNQFCSPP-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.83
Rot. Bonds8

About 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid

2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid (PubChem CID 154217964) has the molecular formula C14H18O7S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid.

Molecular Properties

Compound Name2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid
PubChem CID154217964
Molecular FormulaC14H18O7S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC Name2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid
SMILESC=C(C)C(=O)OCCOc1cccc(S(=O)(=O)O)c1OCC
InChIInChI=1S/C14H18O7S/c1-4-19-13-11(6-5-7-12(13)22(16,17)18)20-8-9-21-14(15)10(2)3/h5-7H,2,4,8-9H2,1,3H3,(H,16,17,18)
InChIKeyJXOZZLCNQFCSPP-UHFFFAOYSA-N
XLogP1.83
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid 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

2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
2-[2,3,5,6-tetraethoxy-4-[2-[2,3,5,6-tetraethoxy-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22590229
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
2-[4-[2,5-diethoxy-3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfanyl-3,6-diethoxy-2-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 139668888
2-ethoxy-3-fluorobenzenesulfonic acid;hydrochloride
CID 174857894
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate
CID 67831254
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
CID 151563185
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfonylphenoxy]ethyl 2-methylprop-2-enoate
CID 22239251

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid?
The IUPAC name of 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid (CID 154217964) is 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid.
What is the SMILES notation for 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid?
The canonical SMILES for 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid is C=C(C)C(=O)OCCOc1cccc(S(=O)(=O)O)c1OCC.
What is the InChIKey of 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid?
The InChIKey is JXOZZLCNQFCSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7S/c1-4-19-13-11(6-5-7-12(13)22(16,17)18)20-8-9-21-14(15)10(2)3/h5-7H,2,4,8-9H2,1,3H3,(H,16,17,18).
What are the key properties of 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid?
2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid has a molecular weight of 330.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid is sourced from PubChem (CID 154217964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).